N-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-phenoxycyclopentyl]-2-methoxyacetamide

C16H24N2O4 — CID 110143549

IUPACN-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-phenoxycyclopentyl]-2-methoxyacetamide
SMILESCOCC(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N(C)C
InChIInChI=1S/C16H24N2O4/c1-18(2)15-12(17-14(19)10-21-3)9-13(16(15)20)22-11-7-5-4-6-8-11/h4-8,12-13,15-16,20H,9-10H2,1-3H3,(H,17,19)/t12-,13-,15+,16+/m1/s1
InChIKeyWHLMHRVRYAOENI-VDERGJSUSA-N
MW308.38 g/mol
LogP0.26
Rot. Bonds6

About N-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-phenoxycyclopentyl]-2-methoxyacetamide

N-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-phenoxycyclopentyl]-2-methoxyacetamide (PubChem CID 110143549) 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-phenoxycyclopentyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-phenoxycyclopentyl]-2-methoxyacetamide
PubChem CID110143549
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC NameN-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-phenoxycyclopentyl]-2-methoxyacetamide
SMILESCOCC(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N(C)C
InChIInChI=1S/C16H24N2O4/c1-18(2)15-12(17-14(19)10-21-3)9-13(16(15)20)22-11-7-5-4-6-8-11/h4-8,12-13,15-16,20H,9-10H2,1-3H3,(H,17,19)/t12-,13-,15+,16+/m1/s1
InChIKeyWHLMHRVRYAOENI-VDERGJSUSA-N
XLogP0.26
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.26
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)-2-(dimethylamino)-3-hydroxy-4-(3-methoxyphenoxy)cyclopentyl]acetamide
CID 110157342
N-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-pyridin-3-yloxycyclopentyl]benzamide
CID 110157359
(1R,2S,3R,5R)-2-(dimethylamino)-5-phenoxy-3-(pyrimidin-2-ylamino)cyclopentan-1-ol
CID 110157505
2-amino-N-[(1R,2S,3R,4R)-2-[benzyl(methyl)amino]-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]cyclopentyl]acetamide
CID 110155534
N-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-pyridin-3-yloxycyclopentyl]pyridine-3-carboxamide
CID 110157409
4-[[(1R,2S,3R,4R)-2-[benzyl(methyl)amino]-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]cyclopentyl]amino]-4-oxobutanoic acid
CID 129456907
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)-2-(dimethylamino)-4-(3-fluorophenoxy)-3-hydroxycyclopentyl]-1,3-thiazole-5-carboxamide
CID 110157911
4-[[(1R,2S,3R,4R)-4-(2-chlorophenoxy)-3-hydroxy-2-[(2-methoxyphenyl)methyl-methylamino]cyclopentyl]amino]-4-oxobutanoic acid
CID 110146199
N-[(1R,2S,3R,4R)-2-[benzyl(methyl)amino]-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]cyclopentyl]-2-imidazol-1-ylacetamide
CID 129459829
N-[(1S,2R)-2-(2-chlorophenyl)cyclopropyl]-2-methoxyacetamide
CID 90020152

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-phenoxycyclopentyl]-2-methoxyacetamide?
The IUPAC name of N-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-phenoxycyclopentyl]-2-methoxyacetamide (CID 110143549) is N-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-phenoxycyclopentyl]-2-methoxyacetamide.
What is the SMILES notation for N-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-phenoxycyclopentyl]-2-methoxyacetamide?
The canonical SMILES for N-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-phenoxycyclopentyl]-2-methoxyacetamide is COCC(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N(C)C.
What is the InChIKey of N-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-phenoxycyclopentyl]-2-methoxyacetamide?
The InChIKey is WHLMHRVRYAOENI-VDERGJSUSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-18(2)15-12(17-14(19)10-21-3)9-13(16(15)20)22-11-7-5-4-6-8-11/h4-8,12-13,15-16,20H,9-10H2,1-3H3,(H,17,19)/t12-,13-,15+,16+/m1/s1.
What are the key properties of N-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-phenoxycyclopentyl]-2-methoxyacetamide?
N-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-phenoxycyclopentyl]-2-methoxyacetamide has a molecular weight of 308.38 g/mol, XLogP of 0.26, 6 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-phenoxycyclopentyl]-2-methoxyacetamide is sourced from PubChem (CID 110143549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).