3-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]benzamide;hydrochloride

C17H26ClN3O2 — CID 119766801

IUPAC3-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]benzamide;hydrochloride
SMILESCl.Nc1cccc(C(=O)NCCNC(=O)CC2CCCCC2)c1
InChIInChI=1S/C17H25N3O2.ClH/c18-15-8-4-7-14(12-15)17(22)20-10-9-19-16(21)11-13-5-2-1-3-6-13;/h4,7-8,12-13H,1-3,5-6,9-11,18H2,(H,19,21)(H,20,22);1H
InChIKeyQOAMZTKNFOKIGG-UHFFFAOYSA-N
MW339.87 g/mol
LogP2.51
Rot. Bonds6

About 3-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]benzamide;hydrochloride

3-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]benzamide;hydrochloride (PubChem CID 119766801) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is 3-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]benzamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]benzamide;hydrochloride
PubChem CID119766801
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC Name3-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]benzamide;hydrochloride
SMILESCl.Nc1cccc(C(=O)NCCNC(=O)CC2CCCCC2)c1
InChIInChI=1S/C17H25N3O2.ClH/c18-15-8-4-7-14(12-15)17(22)20-10-9-19-16(21)11-13-5-2-1-3-6-13;/h4,7-8,12-13H,1-3,5-6,9-11,18H2,(H,19,21)(H,20,22);1H
InChIKeyQOAMZTKNFOKIGG-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]benzamide
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3,5-diamino-N-(2-cyclohexylethyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]benzamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]benzamide;hydrochloride (CID 119766801) is 3-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]benzamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]benzamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]benzamide;hydrochloride is Cl.Nc1cccc(C(=O)NCCNC(=O)CC2CCCCC2)c1.
What is the InChIKey of 3-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]benzamide;hydrochloride?
The InChIKey is QOAMZTKNFOKIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2.ClH/c18-15-8-4-7-14(12-15)17(22)20-10-9-19-16(21)11-13-5-2-1-3-6-13;/h4,7-8,12-13H,1-3,5-6,9-11,18H2,(H,19,21)(H,20,22);1H.
What are the key properties of 3-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]benzamide;hydrochloride?
3-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]benzamide;hydrochloride has a molecular weight of 339.87 g/mol, XLogP of 2.51, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]benzamide;hydrochloride is sourced from PubChem (CID 119766801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).