(2S,4R)-2-cyclohexyl-4-hydroxy-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide

C18H26N2O3 — CID 95628343

IUPAC(2S,4R)-2-cyclohexyl-4-hydroxy-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2C[C@H](O)C[C@H]2C2CCCCC2)c1
InChIInChI=1S/C18H26N2O3/c1-23-16-9-5-8-14(10-16)19-18(22)20-12-15(21)11-17(20)13-6-3-2-4-7-13/h5,8-10,13,15,17,21H,2-4,6-7,11-12H2,1H3,(H,19,22)/t15-,17+/m1/s1
InChIKeyQNDSQLPUXQTMBB-WBVHZDCISA-N
MW318.42 g/mol
LogP3.24
Rot. Bonds3

About (2S,4R)-2-cyclohexyl-4-hydroxy-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide

(2S,4R)-2-cyclohexyl-4-hydroxy-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide (PubChem CID 95628343) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is (2S,4R)-2-cyclohexyl-4-hydroxy-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S,4R)-2-cyclohexyl-4-hydroxy-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
PubChem CID95628343
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name(2S,4R)-2-cyclohexyl-4-hydroxy-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2C[C@H](O)C[C@H]2C2CCCCC2)c1
InChIInChI=1S/C18H26N2O3/c1-23-16-9-5-8-14(10-16)19-18(22)20-12-15(21)11-17(20)13-6-3-2-4-7-13/h5,8-10,13,15,17,21H,2-4,6-7,11-12H2,1H3,(H,19,22)/t15-,17+/m1/s1
InChIKeyQNDSQLPUXQTMBB-WBVHZDCISA-N
XLogP3.24
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-N-(3-methoxyphenyl)-4-methylpiperidine-1-carboxamide
CID 103896298
(3R)-3-hydroxy-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 63362733
methyl (2R)-1-[(3-methoxyphenyl)carbamoyl]piperidine-2-carboxylate
CID 115536153
(3S,6aS,8S,10aS)-8-[2-(cyclopentylamino)-2-oxoethyl]-3-hydroxy-N-(3-methoxyphenyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
CID 54659539
(3S,6aS,8S,10aS)-8-[2-(dimethylamino)-2-oxoethyl]-3-hydroxy-N-(3-methoxyphenyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
CID 54657799
(2R)-1-N,2-N-bis(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468886
(3R,4S)-4-tert-butyl-3-hydroxy-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 97261232
2-(hydroxymethyl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 60582022
4-tert-butyl-3-hydroxy-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 75449592
N-(3-methoxyphenyl)-2-(3-methylphenyl)azepane-1-carboxamide
CID 53013061
(3S,6aS,8S,10aS)-8-[2-(ethylamino)-2-oxoethyl]-3-hydroxy-N-(3-methoxyphenyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
CID 54658892
2-(aminomethyl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 63765209

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-cyclohexyl-4-hydroxy-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S,4R)-2-cyclohexyl-4-hydroxy-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide (CID 95628343) is (2S,4R)-2-cyclohexyl-4-hydroxy-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S,4R)-2-cyclohexyl-4-hydroxy-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S,4R)-2-cyclohexyl-4-hydroxy-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide is COc1cccc(NC(=O)N2C[C@H](O)C[C@H]2C2CCCCC2)c1.
What is the InChIKey of (2S,4R)-2-cyclohexyl-4-hydroxy-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide?
The InChIKey is QNDSQLPUXQTMBB-WBVHZDCISA-N. The full InChI is InChI=1S/C18H26N2O3/c1-23-16-9-5-8-14(10-16)19-18(22)20-12-15(21)11-17(20)13-6-3-2-4-7-13/h5,8-10,13,15,17,21H,2-4,6-7,11-12H2,1H3,(H,19,22)/t15-,17+/m1/s1.
What are the key properties of (2S,4R)-2-cyclohexyl-4-hydroxy-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide?
(2S,4R)-2-cyclohexyl-4-hydroxy-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-cyclohexyl-4-hydroxy-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 95628343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).