1-[3-[[4-(diethylamino)phenyl]methylamino]propyl]pyrrolidin-2-one

C18H29N3O — CID 17212169

IUPAC1-[3-[[4-(diethylamino)phenyl]methylamino]propyl]pyrrolidin-2-one
SMILESCCN(CC)c1ccc(CNCCCN2CCCC2=O)cc1
InChIInChI=1S/C18H29N3O/c1-3-20(4-2)17-10-8-16(9-11-17)15-19-12-6-14-21-13-5-7-18(21)22/h8-11,19H,3-7,12-15H2,1-2H3
InChIKeyBOOMLJGVSFSGRH-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.63
Rot. Bonds9

About 1-[3-[[4-(diethylamino)phenyl]methylamino]propyl]pyrrolidin-2-one

1-[3-[[4-(diethylamino)phenyl]methylamino]propyl]pyrrolidin-2-one (PubChem CID 17212169) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 1-[3-[[4-(diethylamino)phenyl]methylamino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[[4-(diethylamino)phenyl]methylamino]propyl]pyrrolidin-2-one
PubChem CID17212169
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name1-[3-[[4-(diethylamino)phenyl]methylamino]propyl]pyrrolidin-2-one
SMILESCCN(CC)c1ccc(CNCCCN2CCCC2=O)cc1
InChIInChI=1S/C18H29N3O/c1-3-20(4-2)17-10-8-16(9-11-17)15-19-12-6-14-21-13-5-7-18(21)22/h8-11,19H,3-7,12-15H2,1-2H3
InChIKeyBOOMLJGVSFSGRH-UHFFFAOYSA-N
XLogP2.63
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[3-[[4-(diethylamino)phenyl]methylamino]propyl]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

1-[3-(benzylamino)propyl]pyrrolidin-2-one;hydrochloride
CID 17211877
1-[3-[[4-[3-(diethylamino)propoxy]phenyl]methylamino]propyl]pyrrolidin-2-one
CID 10292088
1-[3-(furan-3-ylmethylamino)propyl]pyrrolidin-2-one
CID 115606925
(Z)-2-cyano-3-[4-(diethylamino)anilino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide
CID 108815564
1-[3-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propyl]pyrrolidin-2-one
CID 17211906
1-[3-[(4-phenylmethoxyphenyl)methylamino]propyl]pyrrolidin-2-one;hydrochloride
CID 17211904
1-[3-[(5-methylthiophen-2-yl)methylamino]propyl]pyrrolidin-2-one
CID 17211975
1-[3-[[2-(propylamino)pyrimidin-5-yl]methylamino]propyl]pyrrolidin-2-one
CID 102536413
1-[3-(1H-indol-5-ylmethylamino)propyl]pyrrolidin-2-one
CID 17221800
N,N-diethyl-4-[(hexylamino)methyl]aniline;hydrochloride
CID 17293948
N,N-diethyl-4-[(heptylamino)methyl]aniline;hydrochloride
CID 17293965
1-[3-[(3-ethoxy-4-prop-2-enoxyphenyl)methylamino]propyl]pyrrolidin-2-one;hydrochloride
CID 17212068

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[4-(diethylamino)phenyl]methylamino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[[4-(diethylamino)phenyl]methylamino]propyl]pyrrolidin-2-one (CID 17212169) is 1-[3-[[4-(diethylamino)phenyl]methylamino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[[4-(diethylamino)phenyl]methylamino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[[4-(diethylamino)phenyl]methylamino]propyl]pyrrolidin-2-one is CCN(CC)c1ccc(CNCCCN2CCCC2=O)cc1.
What is the InChIKey of 1-[3-[[4-(diethylamino)phenyl]methylamino]propyl]pyrrolidin-2-one?
The InChIKey is BOOMLJGVSFSGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-3-20(4-2)17-10-8-16(9-11-17)15-19-12-6-14-21-13-5-7-18(21)22/h8-11,19H,3-7,12-15H2,1-2H3.
What are the key properties of 1-[3-[[4-(diethylamino)phenyl]methylamino]propyl]pyrrolidin-2-one?
1-[3-[[4-(diethylamino)phenyl]methylamino]propyl]pyrrolidin-2-one has a molecular weight of 303.45 g/mol, XLogP of 2.63, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[4-(diethylamino)phenyl]methylamino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 17212169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).