7-amino-N-[[1-(3-methylphenyl)cyclopentyl]methyl]heptanamide;hydrochloride

C20H33ClN2O — CID 119770559

IUPAC7-amino-N-[[1-(3-methylphenyl)cyclopentyl]methyl]heptanamide;hydrochloride
SMILESCc1cccc(C2(CNC(=O)CCCCCCN)CCCC2)c1.Cl
InChIInChI=1S/C20H32N2O.ClH/c1-17-9-8-10-18(15-17)20(12-5-6-13-20)16-22-19(23)11-4-2-3-7-14-21;/h8-10,15H,2-7,11-14,16,21H2,1H3,(H,22,23);1H
InChIKeyJRAXMQLSYWCWMV-UHFFFAOYSA-N
MW352.95 g/mol
LogP4.25
Rot. Bonds9

About 7-amino-N-[[1-(3-methylphenyl)cyclopentyl]methyl]heptanamide;hydrochloride

7-amino-N-[[1-(3-methylphenyl)cyclopentyl]methyl]heptanamide;hydrochloride (PubChem CID 119770559) has the molecular formula C20H33ClN2O and a molecular weight of 352.95 g/mol. Its IUPAC name is 7-amino-N-[[1-(3-methylphenyl)cyclopentyl]methyl]heptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-[[1-(3-methylphenyl)cyclopentyl]methyl]heptanamide;hydrochloride
PubChem CID119770559
Molecular FormulaC20H33ClN2O
Molecular Weight352.95 g/mol
Exact Mass352.23
IUPAC Name7-amino-N-[[1-(3-methylphenyl)cyclopentyl]methyl]heptanamide;hydrochloride
SMILESCc1cccc(C2(CNC(=O)CCCCCCN)CCCC2)c1.Cl
InChIInChI=1S/C20H32N2O.ClH/c1-17-9-8-10-18(15-17)20(12-5-6-13-20)16-22-19(23)11-4-2-3-7-14-21;/h8-10,15H,2-7,11-14,16,21H2,1H3,(H,22,23);1H
InChIKeyJRAXMQLSYWCWMV-UHFFFAOYSA-N
XLogP4.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.95
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[[1-(3-methylphenyl)cyclohexyl]methyl]propanamide
CID 119295111
4-amino-N-[[1-(3-methylphenyl)cyclohexyl]methyl]pentanamide;hydrochloride
CID 120560680
6-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]hexanamide
CID 110482650
7-amino-N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]heptanamide;hydrochloride
CID 119765182
7-amino-N-[(1-thiophen-2-ylcyclohexyl)methyl]heptanamide;hydrochloride
CID 119799163
7-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]heptanamide
CID 119769932
7-amino-N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]heptanamide
CID 119749608
(2R)-2-(carbamoylamino)-N-[[1-(3-methylphenyl)cyclopentyl]methyl]propanamide
CID 95326754
N-[[1-(3-chlorophenyl)cyclopentyl]methyl]-4-(methylamino)butanamide
CID 119749852
3-amino-N-[(1-phenylcyclobutyl)methyl]propanamide
CID 110460227
4-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]butanamide;hydrochloride
CID 119315672
N-[[1-(3-methylphenyl)cyclopentyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119770594

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[[1-(3-methylphenyl)cyclopentyl]methyl]heptanamide;hydrochloride?
The IUPAC name of 7-amino-N-[[1-(3-methylphenyl)cyclopentyl]methyl]heptanamide;hydrochloride (CID 119770559) is 7-amino-N-[[1-(3-methylphenyl)cyclopentyl]methyl]heptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-[[1-(3-methylphenyl)cyclopentyl]methyl]heptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-[[1-(3-methylphenyl)cyclopentyl]methyl]heptanamide;hydrochloride is Cc1cccc(C2(CNC(=O)CCCCCCN)CCCC2)c1.Cl.
What is the InChIKey of 7-amino-N-[[1-(3-methylphenyl)cyclopentyl]methyl]heptanamide;hydrochloride?
The InChIKey is JRAXMQLSYWCWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O.ClH/c1-17-9-8-10-18(15-17)20(12-5-6-13-20)16-22-19(23)11-4-2-3-7-14-21;/h8-10,15H,2-7,11-14,16,21H2,1H3,(H,22,23);1H.
What are the key properties of 7-amino-N-[[1-(3-methylphenyl)cyclopentyl]methyl]heptanamide;hydrochloride?
7-amino-N-[[1-(3-methylphenyl)cyclopentyl]methyl]heptanamide;hydrochloride has a molecular weight of 352.95 g/mol, XLogP of 4.25, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[[1-(3-methylphenyl)cyclopentyl]methyl]heptanamide;hydrochloride is sourced from PubChem (CID 119770559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).