4-amino-1-[4-(3-phenylpropoxy)phenyl]pyrrolidin-2-one

C19H22N2O2 — CID 54792619

IUPAC4-amino-1-[4-(3-phenylpropoxy)phenyl]pyrrolidin-2-one
SMILESNC1CC(=O)N(c2ccc(OCCCc3ccccc3)cc2)C1
InChIInChI=1S/C19H22N2O2/c20-16-13-19(22)21(14-16)17-8-10-18(11-9-17)23-12-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-11,16H,4,7,12-14,20H2
InChIKeyNXNGRLRIPRTEDW-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.76
Rot. Bonds6

About 4-amino-1-[4-(3-phenylpropoxy)phenyl]pyrrolidin-2-one

4-amino-1-[4-(3-phenylpropoxy)phenyl]pyrrolidin-2-one (PubChem CID 54792619) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 4-amino-1-[4-(3-phenylpropoxy)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-[4-(3-phenylpropoxy)phenyl]pyrrolidin-2-one
PubChem CID54792619
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name4-amino-1-[4-(3-phenylpropoxy)phenyl]pyrrolidin-2-one
SMILESNC1CC(=O)N(c2ccc(OCCCc3ccccc3)cc2)C1
InChIInChI=1S/C19H22N2O2/c20-16-13-19(22)21(14-16)17-8-10-18(11-9-17)23-12-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-11,16H,4,7,12-14,20H2
InChIKeyNXNGRLRIPRTEDW-UHFFFAOYSA-N
XLogP2.76
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-1-[3-(2-phenylethoxy)phenyl]pyrrolidin-2-one
CID 54792612
4-amino-1-(4-benzylphenyl)pyrrolidin-2-one
CID 168701095
4-amino-1-[4-[(4-fluorophenyl)methoxy]phenyl]pyrrolidin-2-one
CID 68614609
(3R)-1-(4-butoxyphenyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 7325487
(4S)-4-amino-1-[4-[2-(3-fluorophenyl)ethyl]phenyl]pyrrolidin-2-one
CID 68614864
4-amino-1-(3-propoxyphenyl)pyrrolidin-2-one
CID 54792593
5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxylic acid
CID 2968114
N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-4-phenylbutanamide
CID 7563275
butyl 4-(4-amino-2-oxopyrrolidin-1-yl)benzoate
CID 168699215
6-amino-4-(4-phenylmethoxyphenyl)morpholin-3-one
CID 141321137
2-phenylethyl (3R)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 91215206
4-(aminomethyl)-1-[4-(2-methoxyethoxy)phenyl]pyrrolidin-2-one
CID 112514915

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-(3-phenylpropoxy)phenyl]pyrrolidin-2-one?
The IUPAC name of 4-amino-1-[4-(3-phenylpropoxy)phenyl]pyrrolidin-2-one (CID 54792619) is 4-amino-1-[4-(3-phenylpropoxy)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-[4-(3-phenylpropoxy)phenyl]pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-[4-(3-phenylpropoxy)phenyl]pyrrolidin-2-one is NC1CC(=O)N(c2ccc(OCCCc3ccccc3)cc2)C1.
What is the InChIKey of 4-amino-1-[4-(3-phenylpropoxy)phenyl]pyrrolidin-2-one?
The InChIKey is NXNGRLRIPRTEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c20-16-13-19(22)21(14-16)17-8-10-18(11-9-17)23-12-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-11,16H,4,7,12-14,20H2.
What are the key properties of 4-amino-1-[4-(3-phenylpropoxy)phenyl]pyrrolidin-2-one?
4-amino-1-[4-(3-phenylpropoxy)phenyl]pyrrolidin-2-one has a molecular weight of 310.40 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[4-(3-phenylpropoxy)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 54792619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).