4-amino-1-(dibenzylamino)-1,5-diphenylpent-3-en-2-one

C31H30N2O — CID 70135263

IUPAC4-amino-1-(dibenzylamino)-1,5-diphenylpent-3-en-2-one
SMILESNC(=CC(=O)C(c1ccccc1)N(Cc1ccccc1)Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C31H30N2O/c32-29(21-25-13-5-1-6-14-25)22-30(34)31(28-19-11-4-12-20-28)33(23-26-15-7-2-8-16-26)24-27-17-9-3-10-18-27/h1-20,22,31H,21,23-24,32H2
InChIKeyBSCDUVLQRXLMFB-UHFFFAOYSA-N
MW446.59 g/mol
LogP6.08
Rot. Bonds10

About 4-amino-1-(dibenzylamino)-1,5-diphenylpent-3-en-2-one

4-amino-1-(dibenzylamino)-1,5-diphenylpent-3-en-2-one (PubChem CID 70135263) has the molecular formula C31H30N2O and a molecular weight of 446.59 g/mol. Its IUPAC name is 4-amino-1-(dibenzylamino)-1,5-diphenylpent-3-en-2-one.

Molecular Properties

Compound Name4-amino-1-(dibenzylamino)-1,5-diphenylpent-3-en-2-one
PubChem CID70135263
Molecular FormulaC31H30N2O
Molecular Weight446.59 g/mol
Exact Mass446.24
IUPAC Name4-amino-1-(dibenzylamino)-1,5-diphenylpent-3-en-2-one
SMILESNC(=CC(=O)C(c1ccccc1)N(Cc1ccccc1)Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C31H30N2O/c32-29(21-25-13-5-1-6-14-25)22-30(34)31(28-19-11-4-12-20-28)33(23-26-15-7-2-8-16-26)24-27-17-9-3-10-18-27/h1-20,22,31H,21,23-24,32H2
InChIKeyBSCDUVLQRXLMFB-UHFFFAOYSA-N
XLogP6.08
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.59
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4-amino-1-(dibenzylamino)-1,5-diphenylpent-3-en-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

1,5-diamino-1,6-diphenylhex-4-en-3-one
CID 154481985
(Z,2S)-5-amino-2-(dibenzylamino)-1-phenyl-6-(4-pyridin-2-ylphenyl)hex-4-en-3-one
CID 67406268
(Z,2S)-5-amino-2-(dibenzylamino)-1-phenyl-6-pyridin-2-ylhex-4-en-3-one
CID 139069206
methyl 2-[bis[(4-methoxyphenyl)methyl]amino]-2-phenylacetate
CID 118272342
(Z)-4-amino-5-(4-bromophenyl)-1-(dibenzylamino)pent-3-en-2-one
CID 142823862
ethyl 2-[bis[(4-methoxyphenyl)methyl]amino]-2-phenylacetate
CID 118271747
(2R)-2-[benzyl(methyl)amino]-2-phenylacetamide;hydrate;hydrochloride
CID 68952302
(2S)-1-amino-5-benzyl-2-(dibenzylamino)-7,7-dimethyl-1-phenyloct-4-ene-3,6-dione
CID 67726087
N-benzyl-2-phenyl-N-(1-phenylethyl)acetamide
CID 86229489
1-phenylbut-2-en-2-amine
CID 68995045
(2R)-N-(1,3-benzodioxol-5-yl)-2-(dibenzylamino)-2-phenylacetamide
CID 94233315
N-[1-[benzyl(propan-2-yl)amino]propan-2-yl]-2-(dimethylamino)-2-phenylacetamide
CID 110624517

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(dibenzylamino)-1,5-diphenylpent-3-en-2-one?
The IUPAC name of 4-amino-1-(dibenzylamino)-1,5-diphenylpent-3-en-2-one (CID 70135263) is 4-amino-1-(dibenzylamino)-1,5-diphenylpent-3-en-2-one.
What is the SMILES notation for 4-amino-1-(dibenzylamino)-1,5-diphenylpent-3-en-2-one?
The canonical SMILES for 4-amino-1-(dibenzylamino)-1,5-diphenylpent-3-en-2-one is NC(=CC(=O)C(c1ccccc1)N(Cc1ccccc1)Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 4-amino-1-(dibenzylamino)-1,5-diphenylpent-3-en-2-one?
The InChIKey is BSCDUVLQRXLMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N2O/c32-29(21-25-13-5-1-6-14-25)22-30(34)31(28-19-11-4-12-20-28)33(23-26-15-7-2-8-16-26)24-27-17-9-3-10-18-27/h1-20,22,31H,21,23-24,32H2.
What are the key properties of 4-amino-1-(dibenzylamino)-1,5-diphenylpent-3-en-2-one?
4-amino-1-(dibenzylamino)-1,5-diphenylpent-3-en-2-one has a molecular weight of 446.59 g/mol, XLogP of 6.08, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(dibenzylamino)-1,5-diphenylpent-3-en-2-one is sourced from PubChem (CID 70135263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).