7-amino-N-[(1-benzylcyclobutyl)methyl]heptanamide;hydrochloride

C19H31ClN2O — CID 119821633

IUPAC7-amino-N-[(1-benzylcyclobutyl)methyl]heptanamide;hydrochloride
SMILESCl.NCCCCCCC(=O)NCC1(Cc2ccccc2)CCC1
InChIInChI=1S/C19H30N2O.ClH/c20-14-7-2-1-6-11-18(22)21-16-19(12-8-13-19)15-17-9-4-3-5-10-17;/h3-5,9-10H,1-2,6-8,11-16,20H2,(H,21,22);1H
InChIKeyMXMXLRCUUNBVTI-UHFFFAOYSA-N
MW338.92 g/mol
LogP3.85
Rot. Bonds10

About 7-amino-N-[(1-benzylcyclobutyl)methyl]heptanamide;hydrochloride

7-amino-N-[(1-benzylcyclobutyl)methyl]heptanamide;hydrochloride (PubChem CID 119821633) has the molecular formula C19H31ClN2O and a molecular weight of 338.92 g/mol. Its IUPAC name is 7-amino-N-[(1-benzylcyclobutyl)methyl]heptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-[(1-benzylcyclobutyl)methyl]heptanamide;hydrochloride
PubChem CID119821633
Molecular FormulaC19H31ClN2O
Molecular Weight338.92 g/mol
Exact Mass338.21
IUPAC Name7-amino-N-[(1-benzylcyclobutyl)methyl]heptanamide;hydrochloride
SMILESCl.NCCCCCCC(=O)NCC1(Cc2ccccc2)CCC1
InChIInChI=1S/C19H30N2O.ClH/c20-14-7-2-1-6-11-18(22)21-16-19(12-8-13-19)15-17-9-4-3-5-10-17;/h3-5,9-10H,1-2,6-8,11-16,20H2,(H,21,22);1H
InChIKeyMXMXLRCUUNBVTI-UHFFFAOYSA-N
XLogP3.85
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.92
LogP ≤ 53.85
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

N-[[1-(2-aminoethyl)cyclopropyl]methyl]-4-phenylbutanamide
CID 114758855
1-amino-N-[(1-benzylcyclobutyl)methyl]cyclopentane-1-carboxamide
CID 119345267
7-amino-N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]heptanamide;hydrochloride
CID 119765182
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-phenylbutanamide
CID 115362564
7-amino-N-[(1-thiophen-2-ylcyclohexyl)methyl]heptanamide;hydrochloride
CID 119799163
6-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]hexanamide
CID 114756702
3-amino-N-[(1-benzylcyclobutyl)methyl]-2-methylbutanamide;hydrochloride
CID 120502353
1-[(5-aminopentanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 115445879
7-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]heptanamide
CID 119769932
4-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]butanamide
CID 119323040
(2S)-2-amino-N-[(1-benzylcyclobutyl)methyl]-4-methylpentanamide;hydrochloride
CID 119821689
7-amino-N-[[1-(3-methylphenyl)cyclopentyl]methyl]heptanamide;hydrochloride
CID 119770559

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[(1-benzylcyclobutyl)methyl]heptanamide;hydrochloride?
The IUPAC name of 7-amino-N-[(1-benzylcyclobutyl)methyl]heptanamide;hydrochloride (CID 119821633) is 7-amino-N-[(1-benzylcyclobutyl)methyl]heptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-[(1-benzylcyclobutyl)methyl]heptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-[(1-benzylcyclobutyl)methyl]heptanamide;hydrochloride is Cl.NCCCCCCC(=O)NCC1(Cc2ccccc2)CCC1.
What is the InChIKey of 7-amino-N-[(1-benzylcyclobutyl)methyl]heptanamide;hydrochloride?
The InChIKey is MXMXLRCUUNBVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O.ClH/c20-14-7-2-1-6-11-18(22)21-16-19(12-8-13-19)15-17-9-4-3-5-10-17;/h3-5,9-10H,1-2,6-8,11-16,20H2,(H,21,22);1H.
What are the key properties of 7-amino-N-[(1-benzylcyclobutyl)methyl]heptanamide;hydrochloride?
7-amino-N-[(1-benzylcyclobutyl)methyl]heptanamide;hydrochloride has a molecular weight of 338.92 g/mol, XLogP of 3.85, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[(1-benzylcyclobutyl)methyl]heptanamide;hydrochloride is sourced from PubChem (CID 119821633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).