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Chemical ID: 4035381

Chemical ID:

4035381

Name [?]:

methyl 2-phenyl-2-(propylcarbamoylamino)acetate

SMILES [?]:

CCCNC(=O)NC(c1ccccc1)C(=O)OC

InChi [?]:

InChI=1/C13H18N2O3/c1-3-9-14-13(17)15-11(12(16)18-2)10-7-5-4-6-8-10/h4-8,11H,3,9H2,1-2H3,(H2,14,15,17)

InChi Info:

AuxInfo=1/1/N:1,18,2,12,11,13,10,14,3,9,8,15,5,4,7,16,6,17/E:(5,6)(7,8)/rA:18cCCCNCONCCCCCCCCOOC/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;d10;s11;d12;d9s13;s8;d15;s15;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₃H₁₈N₂O₃
All Atoms:	18
Heavy Atoms:	18
Chiral Atoms:	1

ZAP Information [?]

Total:	8.79436
Area:	466.091
Solvation:	-2.85791
Coulombic:	-55.7622

Bond Count [?]

All:	18
Single:	13
Double:	5
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	250.294
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	1.41
LogP (Chemaxon):	1.55

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