3-[[4-[[2-(cyclohexylcarbamoylamino)acetyl]amino]benzoyl]amino]propanoic acid

C19H26N4O5 — CID 119223003

IUPAC3-[[4-[[2-(cyclohexylcarbamoylamino)acetyl]amino]benzoyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)c1ccc(NC(=O)CNC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C19H26N4O5/c24-16(12-21-19(28)23-14-4-2-1-3-5-14)22-15-8-6-13(7-9-15)18(27)20-11-10-17(25)26/h6-9,14H,1-5,10-12H2,(H,20,27)(H,22,24)(H,25,26)(H2,21,23,28)
InChIKeyZIQWZLAUVIPLCD-UHFFFAOYSA-N
MW390.44 g/mol
LogP1.46
Rot. Bonds8

About 3-[[4-[[2-(cyclohexylcarbamoylamino)acetyl]amino]benzoyl]amino]propanoic acid

3-[[4-[[2-(cyclohexylcarbamoylamino)acetyl]amino]benzoyl]amino]propanoic acid (PubChem CID 119223003) has the molecular formula C19H26N4O5 and a molecular weight of 390.44 g/mol. Its IUPAC name is 3-[[4-[[2-(cyclohexylcarbamoylamino)acetyl]amino]benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[4-[[2-(cyclohexylcarbamoylamino)acetyl]amino]benzoyl]amino]propanoic acid
PubChem CID119223003
Molecular FormulaC19H26N4O5
Molecular Weight390.44 g/mol
Exact Mass390.19
IUPAC Name3-[[4-[[2-(cyclohexylcarbamoylamino)acetyl]amino]benzoyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)c1ccc(NC(=O)CNC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C19H26N4O5/c24-16(12-21-19(28)23-14-4-2-1-3-5-14)22-15-8-6-13(7-9-15)18(27)20-11-10-17(25)26/h6-9,14H,1-5,10-12H2,(H,20,27)(H,22,24)(H,25,26)(H2,21,23,28)
InChIKeyZIQWZLAUVIPLCD-UHFFFAOYSA-N
XLogP1.46
TPSA136.63 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 51.46
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Analyze 3-[[4-[[2-(cyclohexylcarbamoylamino)acetyl]amino]benzoyl]amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(cyclohexylcarbamoylamino)-N-propylbenzamide
CID 17180771
4-[[2-(cyclohexylamino)acetyl]amino]-N-cyclopropylbenzamide
CID 1442013
N,N'-bis[4-(cyclohexylcarbamoyl)phenyl]hexanediamide
CID 43878588
3-[[4-[(2-cyclopentylsulfonylacetyl)amino]benzoyl]amino]propanoic acid
CID 119223026
3-[[4-(3-cyclopropylpropanoylamino)benzoyl]amino]propanoic acid
CID 119223043
3-[[4-[[2-(oxan-2-yl)acetyl]amino]benzoyl]amino]propanoic acid
CID 120687029
4-(cyclohexylcarbamoylamino)-N-ethylbenzamide
CID 17234323
N-cyclohexyl-4-(propanoylamino)benzamide
CID 977209
N-(4-acetamidophenyl)-2-(cyclopropylcarbamoylamino)acetamide
CID 112999758
4-[(2-chloroacetyl)amino]-N-cyclopentylbenzamide
CID 16640624
3-(cyclohexylcarbamoylamino)-N-(4-phenylmethoxyphenyl)propanamide
CID 46597632
4-chloro-N-[3-(cyclohexylamino)-3-oxopropyl]benzamide
CID 4822526

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[[2-(cyclohexylcarbamoylamino)acetyl]amino]benzoyl]amino]propanoic acid?
The IUPAC name of 3-[[4-[[2-(cyclohexylcarbamoylamino)acetyl]amino]benzoyl]amino]propanoic acid (CID 119223003) is 3-[[4-[[2-(cyclohexylcarbamoylamino)acetyl]amino]benzoyl]amino]propanoic acid.
What is the SMILES notation for 3-[[4-[[2-(cyclohexylcarbamoylamino)acetyl]amino]benzoyl]amino]propanoic acid?
The canonical SMILES for 3-[[4-[[2-(cyclohexylcarbamoylamino)acetyl]amino]benzoyl]amino]propanoic acid is O=C(O)CCNC(=O)c1ccc(NC(=O)CNC(=O)NC2CCCCC2)cc1.
What is the InChIKey of 3-[[4-[[2-(cyclohexylcarbamoylamino)acetyl]amino]benzoyl]amino]propanoic acid?
The InChIKey is ZIQWZLAUVIPLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O5/c24-16(12-21-19(28)23-14-4-2-1-3-5-14)22-15-8-6-13(7-9-15)18(27)20-11-10-17(25)26/h6-9,14H,1-5,10-12H2,(H,20,27)(H,22,24)(H,25,26)(H2,21,23,28).
What are the key properties of 3-[[4-[[2-(cyclohexylcarbamoylamino)acetyl]amino]benzoyl]amino]propanoic acid?
3-[[4-[[2-(cyclohexylcarbamoylamino)acetyl]amino]benzoyl]amino]propanoic acid has a molecular weight of 390.44 g/mol, XLogP of 1.46, 8 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[[2-(cyclohexylcarbamoylamino)acetyl]amino]benzoyl]amino]propanoic acid is sourced from PubChem (CID 119223003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).