(2S,3R)-N-cyclopentyl-3-hydroxy-3-(4-methoxyphenyl)-2-methylpropanamide

C16H23NO3 — CID 96538154

IUPAC(2S,3R)-N-cyclopentyl-3-hydroxy-3-(4-methoxyphenyl)-2-methylpropanamide
SMILESCOc1ccc([C@H](O)[C@H](C)C(=O)NC2CCCC2)cc1
InChIInChI=1S/C16H23NO3/c1-11(16(19)17-13-5-3-4-6-13)15(18)12-7-9-14(20-2)10-8-12/h7-11,13,15,18H,3-6H2,1-2H3,(H,17,19)/t11-,15+/m0/s1
InChIKeyNCLYZYPNCLZJRL-XHDPSFHLSA-N
MW277.36 g/mol
LogP2.42
Rot. Bonds5

About (2S,3R)-N-cyclopentyl-3-hydroxy-3-(4-methoxyphenyl)-2-methylpropanamide

(2S,3R)-N-cyclopentyl-3-hydroxy-3-(4-methoxyphenyl)-2-methylpropanamide (PubChem CID 96538154) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is (2S,3R)-N-cyclopentyl-3-hydroxy-3-(4-methoxyphenyl)-2-methylpropanamide.

Molecular Properties

Compound Name(2S,3R)-N-cyclopentyl-3-hydroxy-3-(4-methoxyphenyl)-2-methylpropanamide
PubChem CID96538154
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name(2S,3R)-N-cyclopentyl-3-hydroxy-3-(4-methoxyphenyl)-2-methylpropanamide
SMILESCOc1ccc([C@H](O)[C@H](C)C(=O)NC2CCCC2)cc1
InChIInChI=1S/C16H23NO3/c1-11(16(19)17-13-5-3-4-6-13)15(18)12-7-9-14(20-2)10-8-12/h7-11,13,15,18H,3-6H2,1-2H3,(H,17,19)/t11-,15+/m0/s1
InChIKeyNCLYZYPNCLZJRL-XHDPSFHLSA-N
XLogP2.42
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-2-(4-methoxyphenyl)-3-methylbutanamide
CID 110316904
N-cyclohexyl-2-(4-methoxyphenyl)-2-piperidin-1-ylacetamide
CID 4586625
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-methoxybenzoate
CID 7506979
N-cyclopentyl-2-[(4-methoxyphenyl)methyl-methylamino]propanamide
CID 46614381
(3R,4R)-4-hydroxy-4-(4-methoxyphenyl)-3-methylbutan-2-one
CID 129403910
2-[benzyl(methyl)amino]-N-cyclopentyl-2-(4-methoxyphenyl)acetamide
CID 122174537
(2S)-N-cycloheptyl-2-(7-methoxynaphthalen-2-yl)oxypropanamide
CID 40855971
(2R)-N-cyclopropyl-2-(4-methoxyphenoxy)propanamide
CID 7865701
2-[(2-chloroacetyl)-[(4-methoxyphenyl)methyl]amino]-N-cyclohexyl-2-(4-methoxyphenyl)acetamide
CID 86809790
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(4-methoxyphenyl)methyl]-methylazanium
CID 8793180
N-cyclopentyl-2-[2-(4-methoxyphenoxy)ethylsulfanyl]propanamide
CID 60541932
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate
CID 7705394

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-cyclopentyl-3-hydroxy-3-(4-methoxyphenyl)-2-methylpropanamide?
The IUPAC name of (2S,3R)-N-cyclopentyl-3-hydroxy-3-(4-methoxyphenyl)-2-methylpropanamide (CID 96538154) is (2S,3R)-N-cyclopentyl-3-hydroxy-3-(4-methoxyphenyl)-2-methylpropanamide.
What is the SMILES notation for (2S,3R)-N-cyclopentyl-3-hydroxy-3-(4-methoxyphenyl)-2-methylpropanamide?
The canonical SMILES for (2S,3R)-N-cyclopentyl-3-hydroxy-3-(4-methoxyphenyl)-2-methylpropanamide is COc1ccc([C@H](O)[C@H](C)C(=O)NC2CCCC2)cc1.
What is the InChIKey of (2S,3R)-N-cyclopentyl-3-hydroxy-3-(4-methoxyphenyl)-2-methylpropanamide?
The InChIKey is NCLYZYPNCLZJRL-XHDPSFHLSA-N. The full InChI is InChI=1S/C16H23NO3/c1-11(16(19)17-13-5-3-4-6-13)15(18)12-7-9-14(20-2)10-8-12/h7-11,13,15,18H,3-6H2,1-2H3,(H,17,19)/t11-,15+/m0/s1.
What are the key properties of (2S,3R)-N-cyclopentyl-3-hydroxy-3-(4-methoxyphenyl)-2-methylpropanamide?
(2S,3R)-N-cyclopentyl-3-hydroxy-3-(4-methoxyphenyl)-2-methylpropanamide has a molecular weight of 277.36 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-cyclopentyl-3-hydroxy-3-(4-methoxyphenyl)-2-methylpropanamide is sourced from PubChem (CID 96538154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).