1-[4-[(2-methoxycyclohexyl)amino]phenyl]pyrrolidin-2-one

C17H24N2O2 — CID 43780088

IUPAC1-[4-[(2-methoxycyclohexyl)amino]phenyl]pyrrolidin-2-one
SMILESCOC1CCCCC1Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C17H24N2O2/c1-21-16-6-3-2-5-15(16)18-13-8-10-14(11-9-13)19-12-4-7-17(19)20/h8-11,15-16,18H,2-7,12H2,1H3
InChIKeyFQCMWVWQHNZLHV-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.18
Rot. Bonds4

About 1-[4-[(2-methoxycyclohexyl)amino]phenyl]pyrrolidin-2-one

1-[4-[(2-methoxycyclohexyl)amino]phenyl]pyrrolidin-2-one (PubChem CID 43780088) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-[4-[(2-methoxycyclohexyl)amino]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[(2-methoxycyclohexyl)amino]phenyl]pyrrolidin-2-one
PubChem CID43780088
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-[4-[(2-methoxycyclohexyl)amino]phenyl]pyrrolidin-2-one
SMILESCOC1CCCCC1Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C17H24N2O2/c1-21-16-6-3-2-5-15(16)18-13-8-10-14(11-9-13)19-12-4-7-17(19)20/h8-11,15-16,18H,2-7,12H2,1H3
InChIKeyFQCMWVWQHNZLHV-UHFFFAOYSA-N
XLogP3.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(methylamino)phenyl]pyrrolidin-2-one
CID 54310012
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
methyl N-[4-[(2-methoxycyclohexyl)amino]phenyl]carbamate
CID 43788003
N-(2-methoxycyclohexyl)-4-(pyrrolidin-1-ylmethyl)aniline
CID 43781224
1-[4-(1-cyclopentylethylamino)phenyl]pyrrolidin-2-one
CID 62632450
1-[4-(oxepan-4-ylamino)phenyl]pyrrolidin-2-one
CID 65081475
N-cyclopentyl-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679166
1-[4-(azepan-4-ylamino)phenyl]pyrrolidin-2-one
CID 103981052
5-[(2-methoxycyclohexyl)amino]-2-methylisoindole-1,3-dione
CID 43759039
N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686436
N-(2-methoxycyclopentyl)-4-methylsulfonylaniline
CID 55033416
N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclopropanecarboxamide
CID 7686385

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-methoxycyclohexyl)amino]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[(2-methoxycyclohexyl)amino]phenyl]pyrrolidin-2-one (CID 43780088) is 1-[4-[(2-methoxycyclohexyl)amino]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[(2-methoxycyclohexyl)amino]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[(2-methoxycyclohexyl)amino]phenyl]pyrrolidin-2-one is COC1CCCCC1Nc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 1-[4-[(2-methoxycyclohexyl)amino]phenyl]pyrrolidin-2-one?
The InChIKey is FQCMWVWQHNZLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-21-16-6-3-2-5-15(16)18-13-8-10-14(11-9-13)19-12-4-7-17(19)20/h8-11,15-16,18H,2-7,12H2,1H3.
What are the key properties of 1-[4-[(2-methoxycyclohexyl)amino]phenyl]pyrrolidin-2-one?
1-[4-[(2-methoxycyclohexyl)amino]phenyl]pyrrolidin-2-one has a molecular weight of 288.39 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-methoxycyclohexyl)amino]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 43780088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).