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

C21H35N3O2 — CID 10292088

IUPAC1-[3-[[4-[3-(diethylamino)propoxy]phenyl]methylamino]propyl]pyrrolidin-2-one
SMILESCCN(CC)CCCOc1ccc(CNCCCN2CCCC2=O)cc1
InChIInChI=1S/C21H35N3O2/c1-3-23(4-2)14-7-17-26-20-11-9-19(10-12-20)18-22-13-6-16-24-15-5-8-21(24)25/h9-12,22H,3-8,13-18H2,1-2H3
InChIKeyREBZEDXZUYAIFY-UHFFFAOYSA-N
MW361.53 g/mol
LogP2.90
Rot. Bonds13

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

1-[3-[[4-[3-(diethylamino)propoxy]phenyl]methylamino]propyl]pyrrolidin-2-one (PubChem CID 10292088) has the molecular formula C21H35N3O2 and a molecular weight of 361.53 g/mol. Its IUPAC name is 1-[3-[[4-[3-(diethylamino)propoxy]phenyl]methylamino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[[4-[3-(diethylamino)propoxy]phenyl]methylamino]propyl]pyrrolidin-2-one
PubChem CID10292088
Molecular FormulaC21H35N3O2
Molecular Weight361.53 g/mol
Exact Mass361.27
IUPAC Name1-[3-[[4-[3-(diethylamino)propoxy]phenyl]methylamino]propyl]pyrrolidin-2-one
SMILESCCN(CC)CCCOc1ccc(CNCCCN2CCCC2=O)cc1
InChIInChI=1S/C21H35N3O2/c1-3-23(4-2)14-7-17-26-20-11-9-19(10-12-20)18-22-13-6-16-24-15-5-8-21(24)25/h9-12,22H,3-8,13-18H2,1-2H3
InChIKeyREBZEDXZUYAIFY-UHFFFAOYSA-N
XLogP2.90
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-[[4-(diethylamino)phenyl]methylamino]propyl]pyrrolidin-2-one
CID 17212169
3-(4-butan-2-ylphenoxy)-N,N-diethylpropan-1-amine;1-butylpyrrolidin-2-one
CID 142171747
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-(benzylamino)propyl]pyrrolidin-2-one;hydrochloride
CID 17211877
1-[2-[[4-[(4-tert-butylphenyl)methoxy]phenyl]methylamino]ethyl]pyrrolidin-2-one
CID 11303543
1-[2-[(4-phenylmethoxyphenyl)methylamino]ethyl]pyrrolidin-2-one
CID 11381752
2-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]-1-ethyl-3-[3-(2-oxoazepan-1-yl)propyl]guanidine
CID 111348238
2-[4-[[3-(diethylamino)propylamino]methyl]phenoxy]acetic acid
CID 17215297
1-[3-(furan-3-ylmethylamino)propyl]pyrrolidin-2-one
CID 115606925
1-[3-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]propyl]pyrrolidin-2-one;hydrochloride
CID 17212007
1-[3-[[2-(propylamino)pyrimidin-5-yl]methylamino]propyl]pyrrolidin-2-one
CID 102536413

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[4-[3-(diethylamino)propoxy]phenyl]methylamino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[[4-[3-(diethylamino)propoxy]phenyl]methylamino]propyl]pyrrolidin-2-one (CID 10292088) is 1-[3-[[4-[3-(diethylamino)propoxy]phenyl]methylamino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[[4-[3-(diethylamino)propoxy]phenyl]methylamino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[[4-[3-(diethylamino)propoxy]phenyl]methylamino]propyl]pyrrolidin-2-one is CCN(CC)CCCOc1ccc(CNCCCN2CCCC2=O)cc1.
What is the InChIKey of 1-[3-[[4-[3-(diethylamino)propoxy]phenyl]methylamino]propyl]pyrrolidin-2-one?
The InChIKey is REBZEDXZUYAIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O2/c1-3-23(4-2)14-7-17-26-20-11-9-19(10-12-20)18-22-13-6-16-24-15-5-8-21(24)25/h9-12,22H,3-8,13-18H2,1-2H3.
What are the key properties of 1-[3-[[4-[3-(diethylamino)propoxy]phenyl]methylamino]propyl]pyrrolidin-2-one?
1-[3-[[4-[3-(diethylamino)propoxy]phenyl]methylamino]propyl]pyrrolidin-2-one has a molecular weight of 361.53 g/mol, XLogP of 2.90, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[4-[3-(diethylamino)propoxy]phenyl]methylamino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 10292088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).