3-cyclopentyl-N-[3-[(dimethylamino)methyl]-5-methylphenyl]propanamide

C18H28N2O — CID 71908020

IUPAC3-cyclopentyl-N-[3-[(dimethylamino)methyl]-5-methylphenyl]propanamide
SMILESCc1cc(CN(C)C)cc(NC(=O)CCC2CCCC2)c1
InChIInChI=1S/C18H28N2O/c1-14-10-16(13-20(2)3)12-17(11-14)19-18(21)9-8-15-6-4-5-7-15/h10-12,15H,4-9,13H2,1-3H3,(H,19,21)
InChIKeyYEMBHARUAXDOAB-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.97
Rot. Bonds6

About 3-cyclopentyl-N-[3-[(dimethylamino)methyl]-5-methylphenyl]propanamide

3-cyclopentyl-N-[3-[(dimethylamino)methyl]-5-methylphenyl]propanamide (PubChem CID 71908020) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 3-cyclopentyl-N-[3-[(dimethylamino)methyl]-5-methylphenyl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[3-[(dimethylamino)methyl]-5-methylphenyl]propanamide
PubChem CID71908020
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name3-cyclopentyl-N-[3-[(dimethylamino)methyl]-5-methylphenyl]propanamide
SMILESCc1cc(CN(C)C)cc(NC(=O)CCC2CCCC2)c1
InChIInChI=1S/C18H28N2O/c1-14-10-16(13-20(2)3)12-17(11-14)19-18(21)9-8-15-6-4-5-7-15/h10-12,15H,4-9,13H2,1-3H3,(H,19,21)
InChIKeyYEMBHARUAXDOAB-UHFFFAOYSA-N
XLogP3.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,5-dimethylphenyl)-3-(1-methylpiperidin-4-yl)propanamide
CID 110857468
N-(3-bromo-5-methylphenyl)-3-piperidin-4-ylpropanamide
CID 107583461
N-(2-bromo-5-methylphenyl)-3-cyclopentylpropanamide
CID 82757064
3-cyclopentyl-N-(2-hydroxy-4-methylphenyl)propanamide
CID 7979725
N-(6-chloro-5-methyl-3-pyridinyl)-3-cyclopentylpropanamide
CID 103730306
N-(4-acetylphenyl)-3-cyclopentylpropanamide
CID 835633
3-cyclohexyl-N-[3-(propanoylamino)phenyl]propanamide
CID 46568170
N-(2-acetamido-5-methylphenyl)-3-cyclohexylpropanamide
CID 131913766
N-(3,5-dimethylphenyl)-3-(3,5-dioxopyrazolidin-4-yl)propanamide
CID 110703727
3-cyclopentyl-N-(4-methoxyphenyl)propanamide
CID 835546
3-cyclopentyl-N-[4-(3-methylphenoxy)phenyl]propanamide
CID 2446291
N-(3-amino-4-bromophenyl)-3-cyclohexylpropanamide
CID 79767583

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[3-[(dimethylamino)methyl]-5-methylphenyl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[3-[(dimethylamino)methyl]-5-methylphenyl]propanamide (CID 71908020) is 3-cyclopentyl-N-[3-[(dimethylamino)methyl]-5-methylphenyl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[3-[(dimethylamino)methyl]-5-methylphenyl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[3-[(dimethylamino)methyl]-5-methylphenyl]propanamide is Cc1cc(CN(C)C)cc(NC(=O)CCC2CCCC2)c1.
What is the InChIKey of 3-cyclopentyl-N-[3-[(dimethylamino)methyl]-5-methylphenyl]propanamide?
The InChIKey is YEMBHARUAXDOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-14-10-16(13-20(2)3)12-17(11-14)19-18(21)9-8-15-6-4-5-7-15/h10-12,15H,4-9,13H2,1-3H3,(H,19,21).
What are the key properties of 3-cyclopentyl-N-[3-[(dimethylamino)methyl]-5-methylphenyl]propanamide?
3-cyclopentyl-N-[3-[(dimethylamino)methyl]-5-methylphenyl]propanamide has a molecular weight of 288.44 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[3-[(dimethylamino)methyl]-5-methylphenyl]propanamide is sourced from PubChem (CID 71908020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).