1-methyl-3-[4-[2-(propylamino)propyl]phenoxy]pyrrolidin-2-one

C17H26N2O2 — CID 115495144

IUPAC1-methyl-3-[4-[2-(propylamino)propyl]phenoxy]pyrrolidin-2-one
SMILESCCCNC(C)Cc1ccc(OC2CCN(C)C2=O)cc1
InChIInChI=1S/C17H26N2O2/c1-4-10-18-13(2)12-14-5-7-15(8-6-14)21-16-9-11-19(3)17(16)20/h5-8,13,16,18H,4,9-12H2,1-3H3
InChIKeyDOIAPRMKCOLAJT-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.23
Rot. Bonds7

About 1-methyl-3-[4-[2-(propylamino)propyl]phenoxy]pyrrolidin-2-one

1-methyl-3-[4-[2-(propylamino)propyl]phenoxy]pyrrolidin-2-one (PubChem CID 115495144) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-methyl-3-[4-[2-(propylamino)propyl]phenoxy]pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-[4-[2-(propylamino)propyl]phenoxy]pyrrolidin-2-one
PubChem CID115495144
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-methyl-3-[4-[2-(propylamino)propyl]phenoxy]pyrrolidin-2-one
SMILESCCCNC(C)Cc1ccc(OC2CCN(C)C2=O)cc1
InChIInChI=1S/C17H26N2O2/c1-4-10-18-13(2)12-14-5-7-15(8-6-14)21-16-9-11-19(3)17(16)20/h5-8,13,16,18H,4,9-12H2,1-3H3
InChIKeyDOIAPRMKCOLAJT-UHFFFAOYSA-N
XLogP2.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methyl-3-[4-[2-(propylamino)propyl]phenoxy]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]-1-methylpyrrolidin-2-one
CID 107717043
4-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzenesulfonamide
CID 82911782
methyl 3-[4-[2-(propylamino)propyl]phenoxy]propanoate
CID 115495159
ethyl 2-[4-[2-(propylamino)propyl]phenoxy]acetate
CID 115495172
N-propyl-1-(4-propylphenyl)propan-2-amine
CID 82262360
1-[4-(2,2-difluoroethoxy)phenyl]-N-propylpropan-2-amine
CID 115495220
1-[4-(2-ethylsulfonylethoxy)phenyl]-N-propylpropan-2-amine
CID 115495201
2-[4-[2-(propylamino)propyl]phenoxy]butanenitrile
CID 115495209
1-[4-(oxolan-3-ylmethoxy)phenyl]-N-propylpropan-2-amine
CID 115495135
N-[2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]cyclopropanecarboxamide
CID 115706324
2-chloro-5-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzoic acid
CID 106500672
1-[4-[2-(2-methylpropoxy)ethoxy]phenyl]-N-propylpropan-2-amine
CID 106450542

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-[2-(propylamino)propyl]phenoxy]pyrrolidin-2-one?
The IUPAC name of 1-methyl-3-[4-[2-(propylamino)propyl]phenoxy]pyrrolidin-2-one (CID 115495144) is 1-methyl-3-[4-[2-(propylamino)propyl]phenoxy]pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-3-[4-[2-(propylamino)propyl]phenoxy]pyrrolidin-2-one?
The canonical SMILES for 1-methyl-3-[4-[2-(propylamino)propyl]phenoxy]pyrrolidin-2-one is CCCNC(C)Cc1ccc(OC2CCN(C)C2=O)cc1.
What is the InChIKey of 1-methyl-3-[4-[2-(propylamino)propyl]phenoxy]pyrrolidin-2-one?
The InChIKey is DOIAPRMKCOLAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-10-18-13(2)12-14-5-7-15(8-6-14)21-16-9-11-19(3)17(16)20/h5-8,13,16,18H,4,9-12H2,1-3H3.
What are the key properties of 1-methyl-3-[4-[2-(propylamino)propyl]phenoxy]pyrrolidin-2-one?
1-methyl-3-[4-[2-(propylamino)propyl]phenoxy]pyrrolidin-2-one has a molecular weight of 290.41 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-[2-(propylamino)propyl]phenoxy]pyrrolidin-2-one is sourced from PubChem (CID 115495144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).