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Chemical ID: 5901168

Chemical ID:

5901168

Name [?]:

N-[(4-methoxyphenyl)carbamoylmethyl]-3-methyl-butanamide

SMILES [?]:

CC(C)CC(=O)NCC(=O)Nc1ccc(cc1)OC

InChi [?]:

InChI=1/C14H20N2O3/c1-10(2)8-13(17)15-9-14(18)16-11-4-6-12(19-3)7-5-11/h4-7,10H,8-9H2,1-3H3,(H,15,17)(H,16,18)

InChi Info:

AuxInfo=1/1/N:1,3,19,13,17,14,16,4,8,2,12,15,5,9,7,11,6,10,18/E:(1,2)(4,5)(6,7)/rA:19nCCCCCONCCONCCCCCCOC/rB:s1;s2;s2;s4;d5;s5;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s15;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₂₀N₂O₃
All Atoms:	19
Heavy Atoms:	19
Chiral Atoms:	0

ZAP Information [?]

Total:	8.1669
Area:	484.035
Solvation:	-3.93397
Coulombic:	-48.0905

Bond Count [?]

All:	19
Single:	14
Double:	5
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	264.32
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	1.69
LogP (Chemaxon):	1.4

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value