2-amino-5-[3-(benzylamino)phenyl]-5-phenyl-3-propyl-3H-pyrrol-4-one

C26H27N3O — CID 145459854

IUPAC2-amino-5-[3-(benzylamino)phenyl]-5-phenyl-3-propyl-3H-pyrrol-4-one
SMILESCCCC1C(=O)C(c2ccccc2)(c2cccc(NCc3ccccc3)c2)N=C1N
InChIInChI=1S/C26H27N3O/c1-2-10-23-24(30)26(29-25(23)27,20-13-7-4-8-14-20)21-15-9-16-22(17-21)28-18-19-11-5-3-6-12-19/h3-9,11-17,23,28H,2,10,18H2,1H3,(H2,27,29)
InChIKeyCYPLCYIDWHDLOO-UHFFFAOYSA-N
MW397.52 g/mol
LogP4.90
Rot. Bonds7

About 2-amino-5-[3-(benzylamino)phenyl]-5-phenyl-3-propyl-3H-pyrrol-4-one

2-amino-5-[3-(benzylamino)phenyl]-5-phenyl-3-propyl-3H-pyrrol-4-one (PubChem CID 145459854) has the molecular formula C26H27N3O and a molecular weight of 397.52 g/mol. Its IUPAC name is 2-amino-5-[3-(benzylamino)phenyl]-5-phenyl-3-propyl-3H-pyrrol-4-one.

Molecular Properties

Compound Name2-amino-5-[3-(benzylamino)phenyl]-5-phenyl-3-propyl-3H-pyrrol-4-one
PubChem CID145459854
Molecular FormulaC26H27N3O
Molecular Weight397.52 g/mol
Exact Mass397.22
IUPAC Name2-amino-5-[3-(benzylamino)phenyl]-5-phenyl-3-propyl-3H-pyrrol-4-one
SMILESCCCC1C(=O)C(c2ccccc2)(c2cccc(NCc3ccccc3)c2)N=C1N
InChIInChI=1S/C26H27N3O/c1-2-10-23-24(30)26(29-25(23)27,20-13-7-4-8-14-20)21-15-9-16-22(17-21)28-18-19-11-5-3-6-12-19/h3-9,11-17,23,28H,2,10,18H2,1H3,(H2,27,29)
InChIKeyCYPLCYIDWHDLOO-UHFFFAOYSA-N
XLogP4.90
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[3-(2-amino-4-oxo-5-phenyl-3-propyl-3H-pyrrol-5-yl)phenyl]ethyl]-N-ethylmethanesulfonamide
CID 145462057
4-[3-(benzylamino)phenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine;dihydrochloride
CID 169423891
3-[(2-amino-4-oxo-5,5-diphenyl-3H-pyrrol-3-yl)methyl]-N-(3-methoxypropyl)benzamide
CID 59386925
N-benzyl-3-(methoxymethyl)aniline
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2-N-(3-aminophenyl)-4-N,6-N-dibenzyl-1,3,5-triazine-2,4,6-triamine;ethane
CID 91094549
1-[3-(pyridin-4-ylmethylamino)phenyl]cyclopropane-1-carboxylic acid
CID 167807720
3-N-[(3-aminophenyl)methyl]benzene-1,3-diamine
CID 20542479
3-N-[(3-aminophenyl)methyl]benzene-1,3-diamine;hydrochloride
CID 70546095
3-(benzylamino)benzenethiol
CID 146183965
N-[3-[(4R)-2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl]phenyl]furan-2-carboxamide
CID 137348435
CID 163931246
CID 163931246
2-amino-4-(benzylamino)benzoic acid
CID 104500082

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-(benzylamino)phenyl]-5-phenyl-3-propyl-3H-pyrrol-4-one?
The IUPAC name of 2-amino-5-[3-(benzylamino)phenyl]-5-phenyl-3-propyl-3H-pyrrol-4-one (CID 145459854) is 2-amino-5-[3-(benzylamino)phenyl]-5-phenyl-3-propyl-3H-pyrrol-4-one.
What is the SMILES notation for 2-amino-5-[3-(benzylamino)phenyl]-5-phenyl-3-propyl-3H-pyrrol-4-one?
The canonical SMILES for 2-amino-5-[3-(benzylamino)phenyl]-5-phenyl-3-propyl-3H-pyrrol-4-one is CCCC1C(=O)C(c2ccccc2)(c2cccc(NCc3ccccc3)c2)N=C1N.
What is the InChIKey of 2-amino-5-[3-(benzylamino)phenyl]-5-phenyl-3-propyl-3H-pyrrol-4-one?
The InChIKey is CYPLCYIDWHDLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O/c1-2-10-23-24(30)26(29-25(23)27,20-13-7-4-8-14-20)21-15-9-16-22(17-21)28-18-19-11-5-3-6-12-19/h3-9,11-17,23,28H,2,10,18H2,1H3,(H2,27,29).
What are the key properties of 2-amino-5-[3-(benzylamino)phenyl]-5-phenyl-3-propyl-3H-pyrrol-4-one?
2-amino-5-[3-(benzylamino)phenyl]-5-phenyl-3-propyl-3H-pyrrol-4-one has a molecular weight of 397.52 g/mol, XLogP of 4.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[3-(benzylamino)phenyl]-5-phenyl-3-propyl-3H-pyrrol-4-one is sourced from PubChem (CID 145459854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).