N-(5-amino-2-methylphenyl)-3-cyclohexylbutanamide;hydrochloride

C17H27ClN2O — CID 120569234

IUPACN-(5-amino-2-methylphenyl)-3-cyclohexylbutanamide;hydrochloride
SMILESCc1ccc(N)cc1NC(=O)CC(C)C1CCCCC1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-12-8-9-15(18)11-16(12)19-17(20)10-13(2)14-6-4-3-5-7-14;/h8-9,11,13-14H,3-7,10,18H2,1-2H3,(H,19,20);1H
InChIKeyJDTXOTGKMPHQRV-UHFFFAOYSA-N
MW310.87 g/mol
LogP4.54
Rot. Bonds4

About N-(5-amino-2-methylphenyl)-3-cyclohexylbutanamide;hydrochloride

N-(5-amino-2-methylphenyl)-3-cyclohexylbutanamide;hydrochloride (PubChem CID 120569234) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-3-cyclohexylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-3-cyclohexylbutanamide;hydrochloride
PubChem CID120569234
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC NameN-(5-amino-2-methylphenyl)-3-cyclohexylbutanamide;hydrochloride
SMILESCc1ccc(N)cc1NC(=O)CC(C)C1CCCCC1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-12-8-9-15(18)11-16(12)19-17(20)10-13(2)14-6-4-3-5-7-14;/h8-9,11,13-14H,3-7,10,18H2,1-2H3,(H,19,20);1H
InChIKeyJDTXOTGKMPHQRV-UHFFFAOYSA-N
XLogP4.54
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 119422685
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CID 120569096
N-(5-amino-2-methylphenyl)-3-cyclohexyl-2-methylpropanamide
CID 120569231
N-(5-amino-2-methylphenyl)-2-[1-cyclopropylethyl(methyl)amino]acetamide
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N-(5-bromo-2-methylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
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N-(5-amino-2-methylphenyl)-6-(cyclohexylcarbamoylamino)hexanamide;hydrochloride
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N-(5-amino-2-methylphenyl)-3-propan-2-yloxypropanamide;hydrochloride
CID 120568425
N-(5-amino-2-methylphenyl)-3-[cyclopentyl(methyl)amino]propanamide
CID 43266810
N-(5-amino-2-methylphenyl)-2-cyclohexylsulfinylpropanamide
CID 61288866
N-(5-amino-2-methylphenyl)-3-(oxan-2-yl)propanamide;hydrochloride
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N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119725781
N-(5-amino-2-methylphenyl)-3-cyclopentylsulfinylpropanamide
CID 63115345

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-3-cyclohexylbutanamide;hydrochloride?
The IUPAC name of N-(5-amino-2-methylphenyl)-3-cyclohexylbutanamide;hydrochloride (CID 120569234) is N-(5-amino-2-methylphenyl)-3-cyclohexylbutanamide;hydrochloride.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-3-cyclohexylbutanamide;hydrochloride?
The canonical SMILES for N-(5-amino-2-methylphenyl)-3-cyclohexylbutanamide;hydrochloride is Cc1ccc(N)cc1NC(=O)CC(C)C1CCCCC1.Cl.
What is the InChIKey of N-(5-amino-2-methylphenyl)-3-cyclohexylbutanamide;hydrochloride?
The InChIKey is JDTXOTGKMPHQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O.ClH/c1-12-8-9-15(18)11-16(12)19-17(20)10-13(2)14-6-4-3-5-7-14;/h8-9,11,13-14H,3-7,10,18H2,1-2H3,(H,19,20);1H.
What are the key properties of N-(5-amino-2-methylphenyl)-3-cyclohexylbutanamide;hydrochloride?
N-(5-amino-2-methylphenyl)-3-cyclohexylbutanamide;hydrochloride has a molecular weight of 310.87 g/mol, XLogP of 4.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-3-cyclohexylbutanamide;hydrochloride is sourced from PubChem (CID 120569234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).