2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(1-phenylethyl)propanamide

C18H28N2O2 — CID 109398067

IUPAC2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(1-phenylethyl)propanamide
SMILESCC(NC(=O)C(C)N(C)CC1CCCC1O)c1ccccc1
InChIInChI=1S/C18H28N2O2/c1-13(15-8-5-4-6-9-15)19-18(22)14(2)20(3)12-16-10-7-11-17(16)21/h4-6,8-9,13-14,16-17,21H,7,10-12H2,1-3H3,(H,19,22)
InChIKeyYZRVUUXHVURRJD-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.35
Rot. Bonds6

About 2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(1-phenylethyl)propanamide

2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(1-phenylethyl)propanamide (PubChem CID 109398067) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(1-phenylethyl)propanamide.

Molecular Properties

Compound Name2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(1-phenylethyl)propanamide
PubChem CID109398067
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(1-phenylethyl)propanamide
SMILESCC(NC(=O)C(C)N(C)CC1CCCC1O)c1ccccc1
InChIInChI=1S/C18H28N2O2/c1-13(15-8-5-4-6-9-15)19-18(22)14(2)20(3)12-16-10-7-11-17(16)21/h4-6,8-9,13-14,16-17,21H,7,10-12H2,1-3H3,(H,19,22)
InChIKeyYZRVUUXHVURRJD-UHFFFAOYSA-N
XLogP2.35
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-fluorophenyl)methyl]-2-[(2-hydroxycyclopentyl)methyl-methylamino]propanamide
CID 109397881
(2R)-2-[(2-amino-2-oxoethyl)-methylamino]-N-[(1R)-1-phenylethyl]propanamide
CID 94150043
2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(3-methylphenyl)propanamide
CID 109398085
N-(3,5-dimethylphenyl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]propanamide
CID 109398054
2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(2-methylcyclohexyl)propanamide
CID 109398455
2-[(2-chlorophenyl)methyl-methylamino]-N-(1-phenylethyl)propanamide
CID 46801717
(2S)-N-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-2-phenylpropanamide
CID 129445920
2-[cyclohexyl(methyl)amino]-N-[(1R)-1-phenylethyl]acetamide
CID 8004439
N-(3-chloro-4-cyanophenyl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]propanamide
CID 109398109
(2R)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-[(1R)-1-phenylethyl]propanamide
CID 98775522
1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-(1-pyridin-4-ylethyl)urea
CID 75483877
2-(aminomethyl)-N-[(1R)-1-phenylethyl]cyclopentane-1-carboxamide
CID 79025906

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(1-phenylethyl)propanamide?
The IUPAC name of 2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(1-phenylethyl)propanamide (CID 109398067) is 2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(1-phenylethyl)propanamide.
What is the SMILES notation for 2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(1-phenylethyl)propanamide?
The canonical SMILES for 2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(1-phenylethyl)propanamide is CC(NC(=O)C(C)N(C)CC1CCCC1O)c1ccccc1.
What is the InChIKey of 2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(1-phenylethyl)propanamide?
The InChIKey is YZRVUUXHVURRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-13(15-8-5-4-6-9-15)19-18(22)14(2)20(3)12-16-10-7-11-17(16)21/h4-6,8-9,13-14,16-17,21H,7,10-12H2,1-3H3,(H,19,22).
What are the key properties of 2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(1-phenylethyl)propanamide?
2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(1-phenylethyl)propanamide has a molecular weight of 304.43 g/mol, XLogP of 2.35, 6 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-(1-phenylethyl)propanamide is sourced from PubChem (CID 109398067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).