N-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-(3-methoxyphenoxy)cyclopentyl]acetamide

C16H24N2O4 — CID 110157342

IUPACN-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-(3-methoxyphenoxy)cyclopentyl]acetamide
SMILESCOc1cccc(O[C@@H]2C[C@@H](NC(C)=O)[C@H](N(C)C)[C@H]2O)c1
InChIInChI=1S/C16H24N2O4/c1-10(19)17-13-9-14(16(20)15(13)18(2)3)22-12-7-5-6-11(8-12)21-4/h5-8,13-16,20H,9H2,1-4H3,(H,17,19)/t13-,14-,15+,16+/m1/s1
InChIKeyKMPWASRYACDSLO-WCVJEAGWSA-N
MW308.38 g/mol
LogP0.64
Rot. Bonds5

About N-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-(3-methoxyphenoxy)cyclopentyl]acetamide

N-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-(3-methoxyphenoxy)cyclopentyl]acetamide (PubChem CID 110157342) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-(3-methoxyphenoxy)cyclopentyl]acetamide.

Molecular Properties

Compound NameN-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-(3-methoxyphenoxy)cyclopentyl]acetamide
PubChem CID110157342
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC NameN-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-(3-methoxyphenoxy)cyclopentyl]acetamide
SMILESCOc1cccc(O[C@@H]2C[C@@H](NC(C)=O)[C@H](N(C)C)[C@H]2O)c1
InChIInChI=1S/C16H24N2O4/c1-10(19)17-13-9-14(16(20)15(13)18(2)3)22-12-7-5-6-11(8-12)21-4/h5-8,13-16,20H,9H2,1-4H3,(H,17,19)/t13-,14-,15+,16+/m1/s1
InChIKeyKMPWASRYACDSLO-WCVJEAGWSA-N
XLogP0.64
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-phenoxycyclopentyl]-4-methoxybenzamide
CID 110158004
N-[(1R,2S,3R,4R)-3-hydroxy-2-(4-hydroxypiperidin-1-yl)-4-(3-methoxyphenoxy)cyclopentyl]acetamide
CID 155984652
N-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-phenoxycyclopentyl]-2-methoxyacetamide
CID 110143549
N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(3-methoxyphenoxy)cyclopentyl]-2-methylpropanamide
CID 110157628
N-[(1R,2S,3R,4R)-2-(dimethylamino)-4-(3-fluorophenoxy)-3-hydroxycyclopentyl]-1,3-thiazole-5-carboxamide
CID 110157911
N-[(1R,2S,3R,4R)-4-(2-chlorophenoxy)-3-hydroxy-2-[(4-methoxyphenyl)methyl-methylamino]cyclopentyl]acetamide
CID 110155509
N-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-pyridin-3-yloxycyclopentyl]benzamide
CID 110157359
N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(3-methoxyphenoxy)cyclopentyl]-3-methylpyridine-2-carboxamide
CID 155901938
(1R,2S,3R,5R)-2-(dimethylamino)-5-phenoxy-3-(pyrimidin-2-ylamino)cyclopentan-1-ol
CID 110157505
N-[(1R,2S,3R,4R)-2-[benzyl(methyl)amino]-4-(3-fluorophenoxy)-3-hydroxycyclopentyl]-2-pyridin-3-ylacetamide
CID 110158519
N-[(1R,2S,3R,4R)-3-hydroxy-4-(3-methoxyphenoxy)-2-piperidin-1-ylcyclopentyl]pyridine-3-carboxamide
CID 110157415
4-[[(1R,2S,3R,4R)-2-[benzyl(methyl)amino]-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]cyclopentyl]amino]-4-oxobutanoic acid
CID 129456907

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-(3-methoxyphenoxy)cyclopentyl]acetamide?
The IUPAC name of N-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-(3-methoxyphenoxy)cyclopentyl]acetamide (CID 110157342) is N-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-(3-methoxyphenoxy)cyclopentyl]acetamide.
What is the SMILES notation for N-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-(3-methoxyphenoxy)cyclopentyl]acetamide?
The canonical SMILES for N-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-(3-methoxyphenoxy)cyclopentyl]acetamide is COc1cccc(O[C@@H]2C[C@@H](NC(C)=O)[C@H](N(C)C)[C@H]2O)c1.
What is the InChIKey of N-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-(3-methoxyphenoxy)cyclopentyl]acetamide?
The InChIKey is KMPWASRYACDSLO-WCVJEAGWSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-10(19)17-13-9-14(16(20)15(13)18(2)3)22-12-7-5-6-11(8-12)21-4/h5-8,13-16,20H,9H2,1-4H3,(H,17,19)/t13-,14-,15+,16+/m1/s1.
What are the key properties of N-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-(3-methoxyphenoxy)cyclopentyl]acetamide?
N-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-(3-methoxyphenoxy)cyclopentyl]acetamide has a molecular weight of 308.38 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-(3-methoxyphenoxy)cyclopentyl]acetamide is sourced from PubChem (CID 110157342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).