1-amino-N-[(1-benzylcyclobutyl)methyl]cyclopentane-1-carboxamide

C18H26N2O — CID 119345267

IUPAC1-amino-N-[(1-benzylcyclobutyl)methyl]cyclopentane-1-carboxamide
SMILESNC1(C(=O)NCC2(Cc3ccccc3)CCC2)CCCC1
InChIInChI=1S/C18H26N2O/c19-18(11-4-5-12-18)16(21)20-14-17(9-6-10-17)13-15-7-2-1-3-8-15/h1-3,7-8H,4-6,9-14,19H2,(H,20,21)
InChIKeyMBQXJCARFQQWOT-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.79
Rot. Bonds5

About 1-amino-N-[(1-benzylcyclobutyl)methyl]cyclopentane-1-carboxamide

1-amino-N-[(1-benzylcyclobutyl)methyl]cyclopentane-1-carboxamide (PubChem CID 119345267) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-amino-N-[(1-benzylcyclobutyl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[(1-benzylcyclobutyl)methyl]cyclopentane-1-carboxamide
PubChem CID119345267
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name1-amino-N-[(1-benzylcyclobutyl)methyl]cyclopentane-1-carboxamide
SMILESNC1(C(=O)NCC2(Cc3ccccc3)CCC2)CCCC1
InChIInChI=1S/C18H26N2O/c19-18(11-4-5-12-18)16(21)20-14-17(9-6-10-17)13-15-7-2-1-3-8-15/h1-3,7-8H,4-6,9-14,19H2,(H,20,21)
InChIKeyMBQXJCARFQQWOT-UHFFFAOYSA-N
XLogP2.79
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-N-[(1-phenylcyclobutyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119276343
3-amino-N-[(1-benzylcyclobutyl)methyl]-2-methylbutanamide;hydrochloride
CID 120502353
N-[(1-benzylcyclopentyl)methyl]-2-hydroxypropanamide
CID 110010083
2-[(1-benzylcyclobutyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120977084
7-amino-N-[(1-benzylcyclobutyl)methyl]heptanamide;hydrochloride
CID 119821633
1-[(1-benzylcyclobutyl)methyl]-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 97223869
(2S)-2-amino-N-[(1-benzylcyclobutyl)methyl]-4-methylpentanamide;hydrochloride
CID 119821689
2-[(1-benzylcyclopentyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120977496
2-[(1-benzylcyclopentyl)methylcarbamoylamino]-N-methylacetamide
CID 75499278
1-amino-N-phenylmethoxycyclopentane-1-carboxamide
CID 21491908
1-amino-N-[(1-phenylsulfanylcyclopropyl)methyl]cyclopentane-1-carboxamide
CID 119323183
1-amino-N-(2,2-dimethyl-3-phenylpropyl)cyclopentane-1-carboxamide
CID 119329656

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[(1-benzylcyclobutyl)methyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-[(1-benzylcyclobutyl)methyl]cyclopentane-1-carboxamide (CID 119345267) is 1-amino-N-[(1-benzylcyclobutyl)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[(1-benzylcyclobutyl)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-[(1-benzylcyclobutyl)methyl]cyclopentane-1-carboxamide is NC1(C(=O)NCC2(Cc3ccccc3)CCC2)CCCC1.
What is the InChIKey of 1-amino-N-[(1-benzylcyclobutyl)methyl]cyclopentane-1-carboxamide?
The InChIKey is MBQXJCARFQQWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c19-18(11-4-5-12-18)16(21)20-14-17(9-6-10-17)13-15-7-2-1-3-8-15/h1-3,7-8H,4-6,9-14,19H2,(H,20,21).
What are the key properties of 1-amino-N-[(1-benzylcyclobutyl)methyl]cyclopentane-1-carboxamide?
1-amino-N-[(1-benzylcyclobutyl)methyl]cyclopentane-1-carboxamide has a molecular weight of 286.42 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[(1-benzylcyclobutyl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119345267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).