[2-(cyclohexylamino)phenyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone

C18H26N2O2 — CID 136539261

IUPAC[2-(cyclohexylamino)phenyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
SMILESCC1(O)CCN(C(=O)c2ccccc2NC2CCCCC2)C1
InChIInChI=1S/C18H26N2O2/c1-18(22)11-12-20(13-18)17(21)15-9-5-6-10-16(15)19-14-7-3-2-4-8-14/h5-6,9-10,14,19,22H,2-4,7-8,11-13H2,1H3
InChIKeyAMWFERZHVVMGED-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.03
Rot. Bonds3

About [2-(cyclohexylamino)phenyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone

[2-(cyclohexylamino)phenyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone (PubChem CID 136539261) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is [2-(cyclohexylamino)phenyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(cyclohexylamino)phenyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
PubChem CID136539261
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name[2-(cyclohexylamino)phenyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
SMILESCC1(O)CCN(C(=O)c2ccccc2NC2CCCCC2)C1
InChIInChI=1S/C18H26N2O2/c1-18(22)11-12-20(13-18)17(21)15-9-5-6-10-16(15)19-14-7-3-2-4-8-14/h5-6,9-10,14,19,22H,2-4,7-8,11-13H2,1H3
InChIKeyAMWFERZHVVMGED-UHFFFAOYSA-N
XLogP3.03
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-hydroxy-3-methylpyrrolidin-1-yl)-naphthalen-1-ylmethanone
CID 103726762
(2-tert-butylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103820491
(4-cyclopentylpiperazin-1-yl)-[2-(methylamino)phenyl]methanone
CID 62368670
(3-bromo-2-methylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103727013
1-cyclohexyl-3-[2-(4-methylpiperazine-1-carbonyl)phenyl]urea
CID 4943688
aziridin-1-yl-[2-(methylamino)phenyl]methanone
CID 165349679
methyl 2-[(4,4-dimethylcycloheptyl)amino]benzoate
CID 65084413
3-(cyclohexylamino)-2-methylbenzoic acid
CID 43737301
(2-hydrazinyl-5-methylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103358333
2-[(4,4-dimethylcycloheptyl)amino]-N,N-dimethylbenzamide
CID 65083577
(3-hydroxy-3-methylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 103355979
N-[2-(4-methylpiperazine-1-carbonyl)phenyl]cyclohexanecarboxamide
CID 4943642

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylamino)phenyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
The IUPAC name of [2-(cyclohexylamino)phenyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone (CID 136539261) is [2-(cyclohexylamino)phenyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [2-(cyclohexylamino)phenyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for [2-(cyclohexylamino)phenyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone is CC1(O)CCN(C(=O)c2ccccc2NC2CCCCC2)C1.
What is the InChIKey of [2-(cyclohexylamino)phenyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
The InChIKey is AMWFERZHVVMGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-18(22)11-12-20(13-18)17(21)15-9-5-6-10-16(15)19-14-7-3-2-4-8-14/h5-6,9-10,14,19,22H,2-4,7-8,11-13H2,1H3.
What are the key properties of [2-(cyclohexylamino)phenyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
[2-(cyclohexylamino)phenyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone has a molecular weight of 302.42 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylamino)phenyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 136539261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).