2-(1-aminocyclopentyl)-N-methyl-N-(4-phenylbutyl)acetamide

C18H28N2O — CID 64678540

IUPAC2-(1-aminocyclopentyl)-N-methyl-N-(4-phenylbutyl)acetamide
SMILESCN(CCCCc1ccccc1)C(=O)CC1(N)CCCC1
InChIInChI=1S/C18H28N2O/c1-20(17(21)15-18(19)12-6-7-13-18)14-8-5-11-16-9-3-2-4-10-16/h2-4,9-10H,5-8,11-15,19H2,1H3
InChIKeyDHLBRBNRPCLNTG-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.13
Rot. Bonds7

About 2-(1-aminocyclopentyl)-N-methyl-N-(4-phenylbutyl)acetamide

2-(1-aminocyclopentyl)-N-methyl-N-(4-phenylbutyl)acetamide (PubChem CID 64678540) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 2-(1-aminocyclopentyl)-N-methyl-N-(4-phenylbutyl)acetamide.

Molecular Properties

Compound Name2-(1-aminocyclopentyl)-N-methyl-N-(4-phenylbutyl)acetamide
PubChem CID64678540
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name2-(1-aminocyclopentyl)-N-methyl-N-(4-phenylbutyl)acetamide
SMILESCN(CCCCc1ccccc1)C(=O)CC1(N)CCCC1
InChIInChI=1S/C18H28N2O/c1-20(17(21)15-18(19)12-6-7-13-18)14-8-5-11-16-9-3-2-4-10-16/h2-4,9-10H,5-8,11-15,19H2,1H3
InChIKeyDHLBRBNRPCLNTG-UHFFFAOYSA-N
XLogP3.13
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-amino-N-methyl-N-(4-phenylbutyl)cyclopropane-1-carboxamide
CID 65464465
2-amino-N-methyl-N-(4-phenylbutyl)acetamide
CID 60946836
2-(1-aminocyclohexyl)-N-butyl-N-methylacetamide
CID 64685530
2-amino-N-methyl-N-(3-phenylpropyl)acetamide
CID 43588759
1-(1-aminocyclobutyl)-5-phenylpentan-2-one
CID 116591176
2-(1-aminocyclobutyl)-N-benzyl-N-ethylacetamide
CID 79851579
3-phenylpropyl 2-(1-aminocyclobutyl)acetate
CID 79845366
1-amino-N-methyl-N-(2-phenylethyl)cyclohexane-1-carboxamide
CID 54871932
N-methyl-N-(4-phenylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958322
2-(2,3-dihydro-1H-inden-5-yl)-N-methyl-N-(4-phenylbutyl)acetamide
CID 112837369
2-(1-aminocyclopentyl)-N-methyl-N-(pyridin-4-ylmethyl)acetamide
CID 64684189
2-(1-aminocyclopentyl)-N-[(4-bromophenyl)methyl]-N-methylacetamide
CID 64683694

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclopentyl)-N-methyl-N-(4-phenylbutyl)acetamide?
The IUPAC name of 2-(1-aminocyclopentyl)-N-methyl-N-(4-phenylbutyl)acetamide (CID 64678540) is 2-(1-aminocyclopentyl)-N-methyl-N-(4-phenylbutyl)acetamide.
What is the SMILES notation for 2-(1-aminocyclopentyl)-N-methyl-N-(4-phenylbutyl)acetamide?
The canonical SMILES for 2-(1-aminocyclopentyl)-N-methyl-N-(4-phenylbutyl)acetamide is CN(CCCCc1ccccc1)C(=O)CC1(N)CCCC1.
What is the InChIKey of 2-(1-aminocyclopentyl)-N-methyl-N-(4-phenylbutyl)acetamide?
The InChIKey is DHLBRBNRPCLNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-20(17(21)15-18(19)12-6-7-13-18)14-8-5-11-16-9-3-2-4-10-16/h2-4,9-10H,5-8,11-15,19H2,1H3.
What are the key properties of 2-(1-aminocyclopentyl)-N-methyl-N-(4-phenylbutyl)acetamide?
2-(1-aminocyclopentyl)-N-methyl-N-(4-phenylbutyl)acetamide has a molecular weight of 288.43 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclopentyl)-N-methyl-N-(4-phenylbutyl)acetamide is sourced from PubChem (CID 64678540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).