N-[3-[3-(2,5-dioxopyrrolidin-1-yl)propylamino]-3-oxo-1-phenylpropyl]benzamide

C23H25N3O4 — CID 56558590

IUPACN-[3-[3-(2,5-dioxopyrrolidin-1-yl)propylamino]-3-oxo-1-phenylpropyl]benzamide
SMILESO=C(CC(NC(=O)c1ccccc1)c1ccccc1)NCCCN1C(=O)CCC1=O
InChIInChI=1S/C23H25N3O4/c27-20(24-14-7-15-26-21(28)12-13-22(26)29)16-19(17-8-3-1-4-9-17)25-23(30)18-10-5-2-6-11-18/h1-6,8-11,19H,7,12-16H2,(H,24,27)(H,25,30)
InChIKeyZSQLALTYSGIWKP-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.20
Rot. Bonds9

About N-[3-[3-(2,5-dioxopyrrolidin-1-yl)propylamino]-3-oxo-1-phenylpropyl]benzamide

N-[3-[3-(2,5-dioxopyrrolidin-1-yl)propylamino]-3-oxo-1-phenylpropyl]benzamide (PubChem CID 56558590) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-[3-[3-(2,5-dioxopyrrolidin-1-yl)propylamino]-3-oxo-1-phenylpropyl]benzamide.

Molecular Properties

Compound NameN-[3-[3-(2,5-dioxopyrrolidin-1-yl)propylamino]-3-oxo-1-phenylpropyl]benzamide
PubChem CID56558590
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC NameN-[3-[3-(2,5-dioxopyrrolidin-1-yl)propylamino]-3-oxo-1-phenylpropyl]benzamide
SMILESO=C(CC(NC(=O)c1ccccc1)c1ccccc1)NCCCN1C(=O)CCC1=O
InChIInChI=1S/C23H25N3O4/c27-20(24-14-7-15-26-21(28)12-13-22(26)29)16-19(17-8-3-1-4-9-17)25-23(30)18-10-5-2-6-11-18/h1-6,8-11,19H,7,12-16H2,(H,24,27)(H,25,30)
InChIKeyZSQLALTYSGIWKP-UHFFFAOYSA-N
XLogP2.20
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[3-(methylamino)propylamino]-3-oxo-1-phenylpropyl]benzamide
CID 119431387
N-[(1S)-3-(ethylamino)-3-oxo-1-phenylpropyl]benzamide
CID 94041793
N-[(1S)-3-[2-(diethylamino)ethylamino]-3-oxo-1-phenylpropyl]benzamide
CID 94336143
3-benzamido-3-phenylpropanoic acid
CID 2834576
(3S)-3-benzamido-3-phenylpropanoic acid
CID 788098
3-[2-[(3-benzamido-3-phenylpropanoyl)amino]ethyl]benzoic acid
CID 166201872
N-[(1S)-3-[2-(4-fluorophenyl)ethylamino]-3-oxo-1-phenylpropyl]benzamide
CID 9210450
N-[(1R)-3-[[2-(ethylamino)-2-oxoethyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 9224578
N-[(1R)-3-[[2-(dimethylamino)-2-oxoethyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 9480729
3-acetamido-N-[3-(azepan-1-yl)propyl]-3-phenylpropanamide
CID 78778209
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(1,4-diphenylbutyl)benzamide
CID 24552366
N-[(1R)-3-(dimethylamino)-3-oxo-1-phenylpropyl]benzamide
CID 40591318

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(2,5-dioxopyrrolidin-1-yl)propylamino]-3-oxo-1-phenylpropyl]benzamide?
The IUPAC name of N-[3-[3-(2,5-dioxopyrrolidin-1-yl)propylamino]-3-oxo-1-phenylpropyl]benzamide (CID 56558590) is N-[3-[3-(2,5-dioxopyrrolidin-1-yl)propylamino]-3-oxo-1-phenylpropyl]benzamide.
What is the SMILES notation for N-[3-[3-(2,5-dioxopyrrolidin-1-yl)propylamino]-3-oxo-1-phenylpropyl]benzamide?
The canonical SMILES for N-[3-[3-(2,5-dioxopyrrolidin-1-yl)propylamino]-3-oxo-1-phenylpropyl]benzamide is O=C(CC(NC(=O)c1ccccc1)c1ccccc1)NCCCN1C(=O)CCC1=O.
What is the InChIKey of N-[3-[3-(2,5-dioxopyrrolidin-1-yl)propylamino]-3-oxo-1-phenylpropyl]benzamide?
The InChIKey is ZSQLALTYSGIWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c27-20(24-14-7-15-26-21(28)12-13-22(26)29)16-19(17-8-3-1-4-9-17)25-23(30)18-10-5-2-6-11-18/h1-6,8-11,19H,7,12-16H2,(H,24,27)(H,25,30).
What are the key properties of N-[3-[3-(2,5-dioxopyrrolidin-1-yl)propylamino]-3-oxo-1-phenylpropyl]benzamide?
N-[3-[3-(2,5-dioxopyrrolidin-1-yl)propylamino]-3-oxo-1-phenylpropyl]benzamide has a molecular weight of 407.47 g/mol, XLogP of 2.20, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(2,5-dioxopyrrolidin-1-yl)propylamino]-3-oxo-1-phenylpropyl]benzamide is sourced from PubChem (CID 56558590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).