N-[4-[[(3-methylcyclopentyl)amino]methyl]phenyl]acetamide

C15H22N2O — CID 115651788

IUPACN-[4-[[(3-methylcyclopentyl)amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNC2CCC(C)C2)cc1
InChIInChI=1S/C15H22N2O/c1-11-3-6-15(9-11)16-10-13-4-7-14(8-5-13)17-12(2)18/h4-5,7-8,11,15-16H,3,6,9-10H2,1-2H3,(H,17,18)
InChIKeyXAAVSZSISCQKJC-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.92
Rot. Bonds4

About N-[4-[[(3-methylcyclopentyl)amino]methyl]phenyl]acetamide

N-[4-[[(3-methylcyclopentyl)amino]methyl]phenyl]acetamide (PubChem CID 115651788) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-[4-[[(3-methylcyclopentyl)amino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(3-methylcyclopentyl)amino]methyl]phenyl]acetamide
PubChem CID115651788
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-[4-[[(3-methylcyclopentyl)amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNC2CCC(C)C2)cc1
InChIInChI=1S/C15H22N2O/c1-11-3-6-15(9-11)16-10-13-4-7-14(8-5-13)17-12(2)18/h4-5,7-8,11,15-16H,3,6,9-10H2,1-2H3,(H,17,18)
InChIKeyXAAVSZSISCQKJC-UHFFFAOYSA-N
XLogP2.92
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[[(3-methylcyclopentyl)amino]methyl]phenyl]methanol
CID 114545663
2-[4-[[(3-methylcyclopentyl)amino]methyl]phenyl]propanoic acid
CID 103266906
3-methyl-N-[(4-phenylphenyl)methyl]cyclopentan-1-amine
CID 114543884
4-[[(3-methylcyclopentyl)amino]methyl]benzonitrile
CID 64501741
N-[4-[(cyclopropylamino)methyl]phenyl]-2-propoxyacetamide
CID 107938515
4-[[(3-methylcyclohexyl)amino]methyl]benzamide
CID 43215986
N-[4-[(cyclopropylamino)methyl]phenyl]-2-methylcyclopentane-1-carboxamide
CID 107176074
4-[[(4-methylcyclohexyl)amino]methyl]benzamide
CID 28579759
N-[4-[[(2-methylcyclopropyl)methylamino]methyl]phenyl]acetamide
CID 115594062
N-[4-[(cyclopropylamino)methyl]phenyl]-2,2-dimethylbutanamide
CID 106910518
N-[4-[(7-oxabicyclo[2.2.1]heptan-2-ylamino)methyl]phenyl]acetamide
CID 80602105
N-[(4-ethylphenyl)methyl]-3-methylcyclohexan-1-amine
CID 43317393

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(3-methylcyclopentyl)amino]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(3-methylcyclopentyl)amino]methyl]phenyl]acetamide (CID 115651788) is N-[4-[[(3-methylcyclopentyl)amino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(3-methylcyclopentyl)amino]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(3-methylcyclopentyl)amino]methyl]phenyl]acetamide is CC(=O)Nc1ccc(CNC2CCC(C)C2)cc1.
What is the InChIKey of N-[4-[[(3-methylcyclopentyl)amino]methyl]phenyl]acetamide?
The InChIKey is XAAVSZSISCQKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11-3-6-15(9-11)16-10-13-4-7-14(8-5-13)17-12(2)18/h4-5,7-8,11,15-16H,3,6,9-10H2,1-2H3,(H,17,18).
What are the key properties of N-[4-[[(3-methylcyclopentyl)amino]methyl]phenyl]acetamide?
N-[4-[[(3-methylcyclopentyl)amino]methyl]phenyl]acetamide has a molecular weight of 246.35 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(3-methylcyclopentyl)amino]methyl]phenyl]acetamide is sourced from PubChem (CID 115651788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).