(2R,4R)-4-hydroxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]pyrrolidine-2-carboxamide

C18H26N2O3 — CID 74230276

IUPAC(2R,4R)-4-hydroxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(C2(CNC(=O)[C@H]3C[C@@H](O)CN3)CCCC2)cc1
InChIInChI=1S/C18H26N2O3/c1-23-15-6-4-13(5-7-15)18(8-2-3-9-18)12-20-17(22)16-10-14(21)11-19-16/h4-7,14,16,19,21H,2-3,8-12H2,1H3,(H,20,22)/t14-,16-/m1/s1
InChIKeyVQLUSDBGBIJWCF-GDBMZVCRSA-N
MW318.42 g/mol
LogP1.35
Rot. Bonds5

About (2R,4R)-4-hydroxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]pyrrolidine-2-carboxamide

(2R,4R)-4-hydroxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 74230276) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is (2R,4R)-4-hydroxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4R)-4-hydroxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]pyrrolidine-2-carboxamide
PubChem CID74230276
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name(2R,4R)-4-hydroxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(C2(CNC(=O)[C@H]3C[C@@H](O)CN3)CCCC2)cc1
InChIInChI=1S/C18H26N2O3/c1-23-15-6-4-13(5-7-15)18(8-2-3-9-18)12-20-17(22)16-10-14(21)11-19-16/h4-7,14,16,19,21H,2-3,8-12H2,1H3,(H,20,22)/t14-,16-/m1/s1
InChIKeyVQLUSDBGBIJWCF-GDBMZVCRSA-N
XLogP1.35
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119780127
4-hydroxy-N-[[1-(4-propan-2-ylphenyl)cyclopentyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119780053
4-hydroxy-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]pyrrolidine-2-carboxamide
CID 119747052
(2S,4S)-N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 124703602
(1R,3R,4S)-4-hydroxy-3-methoxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]cyclohexane-1-carboxamide
CID 135113473
4-hydroxy-N-[3-(4-methoxyphenoxy)propyl]pyrrolidine-2-carboxamide
CID 119747946
4-hydroxy-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]pyrrolidine-2-carboxamide
CID 119805133
N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]cyclohex-3-ene-1-carboxamide
CID 71796620
N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-1,1-dioxothiolane-3-carboxamide
CID 47921881
4-hydroxy-N-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119770261
1-cyclopentyl-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214574
4-hydroxy-N-[(1-methylcyclobutyl)methyl]pyrrolidine-2-carboxamide
CID 103812334

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-hydroxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R,4R)-4-hydroxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]pyrrolidine-2-carboxamide (CID 74230276) is (2R,4R)-4-hydroxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4R)-4-hydroxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4R)-4-hydroxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]pyrrolidine-2-carboxamide is COc1ccc(C2(CNC(=O)[C@H]3C[C@@H](O)CN3)CCCC2)cc1.
What is the InChIKey of (2R,4R)-4-hydroxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is VQLUSDBGBIJWCF-GDBMZVCRSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-23-15-6-4-13(5-7-15)18(8-2-3-9-18)12-20-17(22)16-10-14(21)11-19-16/h4-7,14,16,19,21H,2-3,8-12H2,1H3,(H,20,22)/t14-,16-/m1/s1.
What are the key properties of (2R,4R)-4-hydroxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]pyrrolidine-2-carboxamide?
(2R,4R)-4-hydroxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 1.35, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-hydroxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 74230276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).