3-amino-N-benzyl-N-(4-methoxybutyl)cyclopentane-1-carboxamide

C18H28N2O2 — CID 119752506

IUPAC3-amino-N-benzyl-N-(4-methoxybutyl)cyclopentane-1-carboxamide
SMILESCOCCCCN(Cc1ccccc1)C(=O)C1CCC(N)C1
InChIInChI=1S/C18H28N2O2/c1-22-12-6-5-11-20(14-15-7-3-2-4-8-15)18(21)16-9-10-17(19)13-16/h2-4,7-8,16-17H,5-6,9-14,19H2,1H3
InChIKeyPLHYHLAMLIZNOH-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.57
Rot. Bonds8

About 3-amino-N-benzyl-N-(4-methoxybutyl)cyclopentane-1-carboxamide

3-amino-N-benzyl-N-(4-methoxybutyl)cyclopentane-1-carboxamide (PubChem CID 119752506) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 3-amino-N-benzyl-N-(4-methoxybutyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-benzyl-N-(4-methoxybutyl)cyclopentane-1-carboxamide
PubChem CID119752506
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name3-amino-N-benzyl-N-(4-methoxybutyl)cyclopentane-1-carboxamide
SMILESCOCCCCN(Cc1ccccc1)C(=O)C1CCC(N)C1
InChIInChI=1S/C18H28N2O2/c1-22-12-6-5-11-20(14-15-7-3-2-4-8-15)18(21)16-9-10-17(19)13-16/h2-4,7-8,16-17H,5-6,9-14,19H2,1H3
InChIKeyPLHYHLAMLIZNOH-UHFFFAOYSA-N
XLogP2.57
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,4S)-N-benzyl-N-(4-methoxybutyl)-2-methylpiperidine-4-carboxamide
CID 120626020
3-amino-N-benzyl-N-(2-phenylethyl)cyclopentane-1-carboxamide
CID 119675945
cis-(1R,3S)-3-amino-N-[(4-ethylphenyl)methyl]-N-(2-methoxyethyl)cyclopentane-1-carboxamide
CID 133109702
3-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)cyclopentane-1-carboxamide
CID 66009602
3-amino-N-(2-amino-2-oxoethyl)-N-benzylcyclopentane-1-carboxamide
CID 119783021
3-amino-N-methyl-N-(4-phenylbutyl)cyclopentane-1-carboxamide
CID 66009595
3-amino-N-(3-amino-3-oxopropyl)-N-benzylcyclohexane-1-carboxamide
CID 119696818
cis-(1R,3S)-3-amino-N-[(4-chlorophenyl)methyl]-N-(3-hydroxypropyl)cyclopentane-1-carboxamide
CID 133130182
3-amino-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)cyclopentane-1-carboxamide
CID 66008773
3-amino-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)cyclopentane-1-carboxamide
CID 119691845
3-amino-N-benzyl-N-propan-2-ylcyclopentane-1-carboxamide;hydrochloride
CID 119676287
2-amino-N-benzyl-N-(2-methoxyethyl)cyclopentane-1-carboxamide
CID 64824946

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-benzyl-N-(4-methoxybutyl)cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-benzyl-N-(4-methoxybutyl)cyclopentane-1-carboxamide (CID 119752506) is 3-amino-N-benzyl-N-(4-methoxybutyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-benzyl-N-(4-methoxybutyl)cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-benzyl-N-(4-methoxybutyl)cyclopentane-1-carboxamide is COCCCCN(Cc1ccccc1)C(=O)C1CCC(N)C1.
What is the InChIKey of 3-amino-N-benzyl-N-(4-methoxybutyl)cyclopentane-1-carboxamide?
The InChIKey is PLHYHLAMLIZNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-22-12-6-5-11-20(14-15-7-3-2-4-8-15)18(21)16-9-10-17(19)13-16/h2-4,7-8,16-17H,5-6,9-14,19H2,1H3.
What are the key properties of 3-amino-N-benzyl-N-(4-methoxybutyl)cyclopentane-1-carboxamide?
3-amino-N-benzyl-N-(4-methoxybutyl)cyclopentane-1-carboxamide has a molecular weight of 304.43 g/mol, XLogP of 2.57, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-benzyl-N-(4-methoxybutyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 119752506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).