N-(4-hydroxycyclohexyl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide

C18H26N2O3 — CID 110913057

IUPACN-(4-hydroxycyclohexyl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide
SMILESCOc1ccc(C2CCN(C(=O)NC3CCC(O)CC3)C2)cc1
InChIInChI=1S/C18H26N2O3/c1-23-17-8-2-13(3-9-17)14-10-11-20(12-14)18(22)19-15-4-6-16(21)7-5-15/h2-3,8-9,14-16,21H,4-7,10-12H2,1H3,(H,19,22)
InChIKeyFJDANRBODJYHTN-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.50
Rot. Bonds3

About N-(4-hydroxycyclohexyl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide

N-(4-hydroxycyclohexyl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide (PubChem CID 110913057) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide
PubChem CID110913057
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-(4-hydroxycyclohexyl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide
SMILESCOc1ccc(C2CCN(C(=O)NC3CCC(O)CC3)C2)cc1
InChIInChI=1S/C18H26N2O3/c1-23-17-8-2-13(3-9-17)14-10-11-20(12-14)18(22)19-15-4-6-16(21)7-5-15/h2-3,8-9,14-16,21H,4-7,10-12H2,1H3,(H,19,22)
InChIKeyFJDANRBODJYHTN-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cyclobutyl-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 93480734
3-(4-methoxyphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 51104059
N-(2-cyclopentylethyl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 86876553
(2S)-2-amino-1-[3-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one
CID 119313373
2-cyclopentyl-1-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 93480750
(3S)-N-[1-(4-methoxyphenyl)piperidin-4-yl]-3-methylpiperidine-1-carboxamide
CID 95326859
2-[4-(4-methoxyphenyl)piperidin-1-yl]-2-oxoacetic acid
CID 82133438
N-tert-butyl-3-(4-methoxyphenyl)azepane-1-carboxamide
CID 121147168
4-[[3-(4-ethylphenyl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122024709
N-cyclohexyl-4-(5-methoxy-1H-indol-2-yl)piperidine-1-carboxamide
CID 113088262
(3S)-N-(2,5-dimethylpyrazol-3-yl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 94824109
(3R)-3-(4-methoxyphenyl)-N-pyridin-3-ylpyrrolidine-1-carboxamide
CID 94824028

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide (CID 110913057) is N-(4-hydroxycyclohexyl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide is COc1ccc(C2CCN(C(=O)NC3CCC(O)CC3)C2)cc1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide?
The InChIKey is FJDANRBODJYHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-23-17-8-2-13(3-9-17)14-10-11-20(12-14)18(22)19-15-4-6-16(21)7-5-15/h2-3,8-9,14-16,21H,4-7,10-12H2,1H3,(H,19,22).
What are the key properties of N-(4-hydroxycyclohexyl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide?
N-(4-hydroxycyclohexyl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 110913057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).