2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(3-methylphenyl)propanamide

C17H26N2O2 — CID 109398085

IUPAC2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)C(C)N(C)CC2CCCC2O)c1
InChIInChI=1S/C17H26N2O2/c1-12-6-4-8-15(10-12)18-17(21)13(2)19(3)11-14-7-5-9-16(14)20/h4,6,8,10,13-14,16,20H,5,7,9,11H2,1-3H3,(H,18,21)
InChIKeyMIMGWVQQRBADSK-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.41
Rot. Bonds5

About 2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(3-methylphenyl)propanamide

2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(3-methylphenyl)propanamide (PubChem CID 109398085) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(3-methylphenyl)propanamide
PubChem CID109398085
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)C(C)N(C)CC2CCCC2O)c1
InChIInChI=1S/C17H26N2O2/c1-12-6-4-8-15(10-12)18-17(21)13(2)19(3)11-14-7-5-9-16(14)20/h4,6,8,10,13-14,16,20H,5,7,9,11H2,1-3H3,(H,18,21)
InChIKeyMIMGWVQQRBADSK-UHFFFAOYSA-N
XLogP2.41
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dimethylphenyl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]propanamide
CID 109398054
N'-[(2-hydroxycyclopentyl)methyl]-N'-methyl-N-(3-methylphenyl)oxamide
CID 109399042
N-(3-chloro-4-cyanophenyl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]propanamide
CID 109398109
2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(1-phenylethyl)propanamide
CID 109398067
1-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-3-(3-methylphenyl)urea
CID 95634979
N-[(2-fluorophenyl)methyl]-2-[(2-hydroxycyclopentyl)methyl-methylamino]propanamide
CID 109397881
(2S)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-(3-methylphenyl)propanamide
CID 9262561
N'-[(2-hydroxycyclopentyl)methyl]-N'-methyl-N-(3-propan-2-ylphenyl)oxamide
CID 109399008
2-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]-N-(3-methylphenyl)propanamide
CID 91836915
(2R)-2-[(4-methoxyphenyl)methyl-methylamino]-N-(3-methylphenyl)propanamide
CID 8760980
2-[(N,3-dimethylanilino)methyl]cyclopentan-1-ol
CID 62610095
2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(2-methylcyclohexyl)propanamide
CID 109398455

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(3-methylphenyl)propanamide?
The IUPAC name of 2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(3-methylphenyl)propanamide (CID 109398085) is 2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(3-methylphenyl)propanamide.
What is the SMILES notation for 2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(3-methylphenyl)propanamide?
The canonical SMILES for 2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(3-methylphenyl)propanamide is Cc1cccc(NC(=O)C(C)N(C)CC2CCCC2O)c1.
What is the InChIKey of 2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(3-methylphenyl)propanamide?
The InChIKey is MIMGWVQQRBADSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12-6-4-8-15(10-12)18-17(21)13(2)19(3)11-14-7-5-9-16(14)20/h4,6,8,10,13-14,16,20H,5,7,9,11H2,1-3H3,(H,18,21).
What are the key properties of 2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(3-methylphenyl)propanamide?
2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(3-methylphenyl)propanamide has a molecular weight of 290.41 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 109398085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).