3-[[2-(4-aminophenyl)acetyl]amino]-N-cyclohexylpropanamide;hydrochloride

C17H26ClN3O2 — CID 119741910

IUPAC3-[[2-(4-aminophenyl)acetyl]amino]-N-cyclohexylpropanamide;hydrochloride
SMILESCl.Nc1ccc(CC(=O)NCCC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C17H25N3O2.ClH/c18-14-8-6-13(7-9-14)12-17(22)19-11-10-16(21)20-15-4-2-1-3-5-15;/h6-9,15H,1-5,10-12,18H2,(H,19,22)(H,20,21);1H
InChIKeyQWSLCHHSYZYAEB-UHFFFAOYSA-N
MW339.87 g/mol
LogP2.19
Rot. Bonds6

About 3-[[2-(4-aminophenyl)acetyl]amino]-N-cyclohexylpropanamide;hydrochloride

3-[[2-(4-aminophenyl)acetyl]amino]-N-cyclohexylpropanamide;hydrochloride (PubChem CID 119741910) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is 3-[[2-(4-aminophenyl)acetyl]amino]-N-cyclohexylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-[[2-(4-aminophenyl)acetyl]amino]-N-cyclohexylpropanamide;hydrochloride
PubChem CID119741910
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC Name3-[[2-(4-aminophenyl)acetyl]amino]-N-cyclohexylpropanamide;hydrochloride
SMILESCl.Nc1ccc(CC(=O)NCCC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C17H25N3O2.ClH/c18-14-8-6-13(7-9-14)12-17(22)19-11-10-16(21)20-15-4-2-1-3-5-15;/h6-9,15H,1-5,10-12,18H2,(H,19,22)(H,20,21);1H
InChIKeyQWSLCHHSYZYAEB-UHFFFAOYSA-N
XLogP2.19
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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CID 62416481
N-cyclohexyl-3-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]propanamide
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N-cyclopentyl-3-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]propanamide
CID 60569006
3-[[2-(4-aminophenoxy)acetyl]amino]-N-cyclopropylpropanamide
CID 79385591
4-amino-N-cyclohexylbenzamide;hydrochloride
CID 83814043
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CID 63588883
2-(4-aminophenyl)-N-(3-cyclopentylpropyl)acetamide
CID 103630550
3-(carbamoylamino)-N-cyclohexylpropanamide
CID 47116358
3-[[2-(4-aminophenyl)acetyl]amino]-N-cyclohexylbenzamide
CID 54795813
N-(4-hydroxycyclohexyl)-3-[(2-phenylacetyl)amino]propanamide
CID 110882867
2-(4-aminophenyl)-N-(cyclopentylmethyl)acetamide
CID 43370694
1-amino-N-[3-(cyclohexylamino)-3-oxopropyl]cyclopentane-1-carboxamide;hydrochloride
CID 119299492

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-aminophenyl)acetyl]amino]-N-cyclohexylpropanamide;hydrochloride?
The IUPAC name of 3-[[2-(4-aminophenyl)acetyl]amino]-N-cyclohexylpropanamide;hydrochloride (CID 119741910) is 3-[[2-(4-aminophenyl)acetyl]amino]-N-cyclohexylpropanamide;hydrochloride.
What is the SMILES notation for 3-[[2-(4-aminophenyl)acetyl]amino]-N-cyclohexylpropanamide;hydrochloride?
The canonical SMILES for 3-[[2-(4-aminophenyl)acetyl]amino]-N-cyclohexylpropanamide;hydrochloride is Cl.Nc1ccc(CC(=O)NCCC(=O)NC2CCCCC2)cc1.
What is the InChIKey of 3-[[2-(4-aminophenyl)acetyl]amino]-N-cyclohexylpropanamide;hydrochloride?
The InChIKey is QWSLCHHSYZYAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2.ClH/c18-14-8-6-13(7-9-14)12-17(22)19-11-10-16(21)20-15-4-2-1-3-5-15;/h6-9,15H,1-5,10-12,18H2,(H,19,22)(H,20,21);1H.
What are the key properties of 3-[[2-(4-aminophenyl)acetyl]amino]-N-cyclohexylpropanamide;hydrochloride?
3-[[2-(4-aminophenyl)acetyl]amino]-N-cyclohexylpropanamide;hydrochloride has a molecular weight of 339.87 g/mol, XLogP of 2.19, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-aminophenyl)acetyl]amino]-N-cyclohexylpropanamide;hydrochloride is sourced from PubChem (CID 119741910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).