(1R,3R,4S)-4-hydroxy-3-methoxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]cyclohexane-1-carboxamide

C21H31NO4 — CID 135113473

IUPAC(1R,3R,4S)-4-hydroxy-3-methoxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]cyclohexane-1-carboxamide
SMILESCOc1ccc(C2(CNC(=O)[C@@H]3CC[C@H](O)[C@H](OC)C3)CCCC2)cc1
InChIInChI=1S/C21H31NO4/c1-25-17-8-6-16(7-9-17)21(11-3-4-12-21)14-22-20(24)15-5-10-18(23)19(13-15)26-2/h6-9,15,18-19,23H,3-5,10-14H2,1-2H3,(H,22,24)/t15-,18+,19-/m1/s1
InChIKeyWTWSFHBRQYFVID-AYOQOUSVSA-N
MW361.48 g/mol
LogP2.80
Rot. Bonds6

About (1R,3R,4S)-4-hydroxy-3-methoxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]cyclohexane-1-carboxamide

(1R,3R,4S)-4-hydroxy-3-methoxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]cyclohexane-1-carboxamide (PubChem CID 135113473) has the molecular formula C21H31NO4 and a molecular weight of 361.48 g/mol. Its IUPAC name is (1R,3R,4S)-4-hydroxy-3-methoxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name(1R,3R,4S)-4-hydroxy-3-methoxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]cyclohexane-1-carboxamide
PubChem CID135113473
Molecular FormulaC21H31NO4
Molecular Weight361.48 g/mol
Exact Mass361.23
IUPAC Name(1R,3R,4S)-4-hydroxy-3-methoxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]cyclohexane-1-carboxamide
SMILESCOc1ccc(C2(CNC(=O)[C@@H]3CC[C@H](O)[C@H](OC)C3)CCCC2)cc1
InChIInChI=1S/C21H31NO4/c1-25-17-8-6-16(7-9-17)21(11-3-4-12-21)14-22-20(24)15-5-10-18(23)19(13-15)26-2/h6-9,15,18-19,23H,3-5,10-14H2,1-2H3,(H,22,24)/t15-,18+,19-/m1/s1
InChIKeyWTWSFHBRQYFVID-AYOQOUSVSA-N
XLogP2.80
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.48
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R,3R,4S)-4-hydroxy-3-methoxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]cyclohexane-1-carboxamide with MolForge

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Related Compounds

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
(2R,4R)-4-hydroxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]pyrrolidine-2-carboxamide
CID 74230276
(3R)-1-ethyl-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 97123369
1-(2-methoxyethyl)-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-6-oxopiperidine-3-carboxamide
CID 45239522
1-cyclopentyl-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214574
1-(cyclopropanecarbonyl)-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide
CID 71918441
(1S,3S,4S)-4-amino-N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-3-methoxycyclohexane-1-carboxamide;hydrochloride
CID 163333661
(2S,5R)-5-(aminomethyl)-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]oxolane-2-carboxamide
CID 120789842
N-[[1-(4-methoxyphenyl)cyclobutyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide
CID 127832089
N-[[1-(4-methoxyphenyl)cyclobutyl]methyl]-2-methylpropanamide
CID 110478485
3-amino-N-[(1-phenylcyclopentyl)methyl]cyclopentane-1-carboxamide
CID 119698154

Frequently Asked Questions

What is the IUPAC name of (1R,3R,4S)-4-hydroxy-3-methoxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]cyclohexane-1-carboxamide?
The IUPAC name of (1R,3R,4S)-4-hydroxy-3-methoxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]cyclohexane-1-carboxamide (CID 135113473) is (1R,3R,4S)-4-hydroxy-3-methoxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for (1R,3R,4S)-4-hydroxy-3-methoxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for (1R,3R,4S)-4-hydroxy-3-methoxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]cyclohexane-1-carboxamide is COc1ccc(C2(CNC(=O)[C@@H]3CC[C@H](O)[C@H](OC)C3)CCCC2)cc1.
What is the InChIKey of (1R,3R,4S)-4-hydroxy-3-methoxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]cyclohexane-1-carboxamide?
The InChIKey is WTWSFHBRQYFVID-AYOQOUSVSA-N. The full InChI is InChI=1S/C21H31NO4/c1-25-17-8-6-16(7-9-17)21(11-3-4-12-21)14-22-20(24)15-5-10-18(23)19(13-15)26-2/h6-9,15,18-19,23H,3-5,10-14H2,1-2H3,(H,22,24)/t15-,18+,19-/m1/s1.
What are the key properties of (1R,3R,4S)-4-hydroxy-3-methoxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]cyclohexane-1-carboxamide?
(1R,3R,4S)-4-hydroxy-3-methoxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]cyclohexane-1-carboxamide has a molecular weight of 361.48 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,4S)-4-hydroxy-3-methoxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 135113473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).