3-methyl-N-[4-[1-(methylamino)cyclopentyl]butyl]benzamide

C18H28N2O — CID 130285469

IUPAC3-methyl-N-[4-[1-(methylamino)cyclopentyl]butyl]benzamide
SMILESCNC1(CCCCNC(=O)c2cccc(C)c2)CCCC1
InChIInChI=1S/C18H28N2O/c1-15-8-7-9-16(14-15)17(21)20-13-6-5-12-18(19-2)10-3-4-11-18/h7-9,14,19H,3-6,10-13H2,1-2H3,(H,20,21)
InChIKeyGBLWUTDROLQVML-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.43
Rot. Bonds7

About 3-methyl-N-[4-[1-(methylamino)cyclopentyl]butyl]benzamide

3-methyl-N-[4-[1-(methylamino)cyclopentyl]butyl]benzamide (PubChem CID 130285469) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 3-methyl-N-[4-[1-(methylamino)cyclopentyl]butyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[4-[1-(methylamino)cyclopentyl]butyl]benzamide
PubChem CID130285469
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name3-methyl-N-[4-[1-(methylamino)cyclopentyl]butyl]benzamide
SMILESCNC1(CCCCNC(=O)c2cccc(C)c2)CCCC1
InChIInChI=1S/C18H28N2O/c1-15-8-7-9-16(14-15)17(21)20-13-6-5-12-18(19-2)10-3-4-11-18/h7-9,14,19H,3-6,10-13H2,1-2H3,(H,20,21)
InChIKeyGBLWUTDROLQVML-UHFFFAOYSA-N
XLogP3.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.43
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-(hydroxymethyl)cyclohexyl]-3-methylbenzamide
CID 62520382
3-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]benzamide
CID 115267528
N-[(1-hydroxycyclohexyl)methyl]-3-methylbenzamide
CID 64868051
3-methyl-N-(3-piperidin-1-ylpropyl)benzamide
CID 11543475
2-[1-[(3-methylbenzoyl)amino]cyclobutyl]acetic acid
CID 79848230
N-[3-[(3-methylbenzoyl)amino]propyl]pyridine-3-carboxamide
CID 2985562
N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-3-methylbenzamide
CID 108538687
3-methyl-N-(2-piperidin-1-ium-1-ylethyl)benzamide chloride
CID 18532138
N-[3-(cyclopentylamino)-3-oxopropyl]-3-methylbenzamide
CID 17191350
N-[1-[4-[(3-chlorobenzoyl)amino]butyl]cyclopentyl]-5-fluoropyridine-2-carboxamide
CID 130285889
2,3,4-trifluoro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide
CID 108542494
3-methyl-N-(2-piperidin-1-ylethyl)benzamide;hydrochloride
CID 126477808

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-[1-(methylamino)cyclopentyl]butyl]benzamide?
The IUPAC name of 3-methyl-N-[4-[1-(methylamino)cyclopentyl]butyl]benzamide (CID 130285469) is 3-methyl-N-[4-[1-(methylamino)cyclopentyl]butyl]benzamide.
What is the SMILES notation for 3-methyl-N-[4-[1-(methylamino)cyclopentyl]butyl]benzamide?
The canonical SMILES for 3-methyl-N-[4-[1-(methylamino)cyclopentyl]butyl]benzamide is CNC1(CCCCNC(=O)c2cccc(C)c2)CCCC1.
What is the InChIKey of 3-methyl-N-[4-[1-(methylamino)cyclopentyl]butyl]benzamide?
The InChIKey is GBLWUTDROLQVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-15-8-7-9-16(14-15)17(21)20-13-6-5-12-18(19-2)10-3-4-11-18/h7-9,14,19H,3-6,10-13H2,1-2H3,(H,20,21).
What are the key properties of 3-methyl-N-[4-[1-(methylamino)cyclopentyl]butyl]benzamide?
3-methyl-N-[4-[1-(methylamino)cyclopentyl]butyl]benzamide has a molecular weight of 288.44 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-[1-(methylamino)cyclopentyl]butyl]benzamide is sourced from PubChem (CID 130285469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).