N-(4-hydroxycyclohexyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide

C18H26N2O2 — CID 110900682

IUPACN-(4-hydroxycyclohexyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide
SMILESCc1cccc(C2CCCN2C(=O)NC2CCC(O)CC2)c1
InChIInChI=1S/C18H26N2O2/c1-13-4-2-5-14(12-13)17-6-3-11-20(17)18(22)19-15-7-9-16(21)10-8-15/h2,4-5,12,15-17,21H,3,6-11H2,1H3,(H,19,22)
InChIKeyFISOEDRVDWUPMC-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.15
Rot. Bonds2

About N-(4-hydroxycyclohexyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide

N-(4-hydroxycyclohexyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide (PubChem CID 110900682) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide
PubChem CID110900682
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-(4-hydroxycyclohexyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide
SMILESCc1cccc(C2CCCN2C(=O)NC2CCC(O)CC2)c1
InChIInChI=1S/C18H26N2O2/c1-13-4-2-5-14(12-13)17-6-3-11-20(17)18(22)19-15-7-9-16(21)10-8-15/h2,4-5,12,15-17,21H,3,6-11H2,1H3,(H,19,22)
InChIKeyFISOEDRVDWUPMC-UHFFFAOYSA-N
XLogP3.15
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluorophenyl)-N-(4-hydroxycyclohexyl)pyrrolidine-1-carboxamide
CID 110900683
(2S)-2-(3-methylphenyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51856238
N-(3,5-dimethylphenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 50747165
2-(3-methylphenyl)-N-propan-2-ylazepane-1-carboxamide
CID 53013135
4-[[2-(3-bromophenyl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122025053
2-chloro-1-[2-(3-methylphenyl)pyrrolidin-1-yl]ethanone
CID 166174148
(2R)-N-(3,5-dimethoxyphenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 51855985
(2S)-N-(2-methoxyphenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 94080897
N-(4-hydroxycyclohexyl)-2-pyridin-4-ylazepane-1-carboxamide
CID 110894690
2-(3-methoxyphenyl)-N-(oxan-4-yl)pyrrolidine-1-carboxamide
CID 146123500
(2S)-2-amino-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one
CID 119288516
3-(methylamino)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one
CID 83629742

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide (CID 110900682) is N-(4-hydroxycyclohexyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide is Cc1cccc(C2CCCN2C(=O)NC2CCC(O)CC2)c1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide?
The InChIKey is FISOEDRVDWUPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-13-4-2-5-14(12-13)17-6-3-11-20(17)18(22)19-15-7-9-16(21)10-8-15/h2,4-5,12,15-17,21H,3,6-11H2,1H3,(H,19,22).
What are the key properties of N-(4-hydroxycyclohexyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide?
N-(4-hydroxycyclohexyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 110900682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).