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

C17H26N2O2 — CID 109394098

IUPAC3-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(2-methylphenyl)propanamide
SMILESCc1ccccc1NC(=O)CCN(C)CC1CCCC1O
InChIInChI=1S/C17H26N2O2/c1-13-6-3-4-8-15(13)18-17(21)10-11-19(2)12-14-7-5-9-16(14)20/h3-4,6,8,14,16,20H,5,7,9-12H2,1-2H3,(H,18,21)
InChIKeyJAEWLZKHACJMHF-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.42
Rot. Bonds6

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

3-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(2-methylphenyl)propanamide (PubChem CID 109394098) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(2-methylphenyl)propanamide
PubChem CID109394098
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(2-methylphenyl)propanamide
SMILESCc1ccccc1NC(=O)CCN(C)CC1CCCC1O
InChIInChI=1S/C17H26N2O2/c1-13-6-3-4-8-15(13)18-17(21)10-11-19(2)12-14-7-5-9-16(14)20/h3-4,6,8,14,16,20H,5,7,9-12H2,1-2H3,(H,18,21)
InChIKeyJAEWLZKHACJMHF-UHFFFAOYSA-N
XLogP2.42
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(dimethylamino)-N-(2-methylphenyl)propanamide
CID 89469008
N-(2,5-dimethylphenyl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide
CID 109398482
2-[cycloheptyl(methyl)amino]-N-(2-methylphenyl)acetamide
CID 16577693
3-[acetyl(cycloheptyl)amino]-N-(2,3-dimethylphenyl)propanamide
CID 113122712
3-[acetyl(propyl)amino]-N-(2-methylphenyl)propanamide
CID 113115004
3-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(2-methylphenyl)propanamide
CID 113121646
3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2-methylphenyl)propanamide
CID 113117534
3-[acetyl(tert-butyl)amino]-N-(2-methylphenyl)propanamide
CID 113122509
3-[[(1R,2S)-2-(hydroxymethyl)cyclohexyl]amino]-N-(2-methylphenyl)propanamide
CID 99611019
3-(2-fluorophenyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109395391
3-[acetyl(cyclopentyl)amino]-N-(2,5-dimethylphenyl)propanamide
CID 113116404
N-(2-cyanophenyl)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanamide
CID 63864973

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(2-methylphenyl)propanamide?
The IUPAC name of 3-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(2-methylphenyl)propanamide (CID 109394098) is 3-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(2-methylphenyl)propanamide.
What is the SMILES notation for 3-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(2-methylphenyl)propanamide?
The canonical SMILES for 3-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(2-methylphenyl)propanamide is Cc1ccccc1NC(=O)CCN(C)CC1CCCC1O.
What is the InChIKey of 3-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(2-methylphenyl)propanamide?
The InChIKey is JAEWLZKHACJMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13-6-3-4-8-15(13)18-17(21)10-11-19(2)12-14-7-5-9-16(14)20/h3-4,6,8,14,16,20H,5,7,9-12H2,1-2H3,(H,18,21).
What are the key properties of 3-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(2-methylphenyl)propanamide?
3-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(2-methylphenyl)propanamide has a molecular weight of 290.41 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(2-methylphenyl)propanamide is sourced from PubChem (CID 109394098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).