N-[3-[3-(methylamino)propylamino]-3-oxo-1-phenylpropyl]benzamide

C20H25N3O2 — CID 119431387

IUPACN-[3-[3-(methylamino)propylamino]-3-oxo-1-phenylpropyl]benzamide
SMILESCNCCCNC(=O)CC(NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25N3O2/c1-21-13-8-14-22-19(24)15-18(16-9-4-2-5-10-16)23-20(25)17-11-6-3-7-12-17/h2-7,9-12,18,21H,8,13-15H2,1H3,(H,22,24)(H,23,25)
InChIKeyXTUONHPNJYLYDX-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.27
Rot. Bonds9

About N-[3-[3-(methylamino)propylamino]-3-oxo-1-phenylpropyl]benzamide

N-[3-[3-(methylamino)propylamino]-3-oxo-1-phenylpropyl]benzamide (PubChem CID 119431387) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[3-[3-(methylamino)propylamino]-3-oxo-1-phenylpropyl]benzamide.

Molecular Properties

Compound NameN-[3-[3-(methylamino)propylamino]-3-oxo-1-phenylpropyl]benzamide
PubChem CID119431387
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-[3-[3-(methylamino)propylamino]-3-oxo-1-phenylpropyl]benzamide
SMILESCNCCCNC(=O)CC(NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25N3O2/c1-21-13-8-14-22-19(24)15-18(16-9-4-2-5-10-16)23-20(25)17-11-6-3-7-12-17/h2-7,9-12,18,21H,8,13-15H2,1H3,(H,22,24)(H,23,25)
InChIKeyXTUONHPNJYLYDX-UHFFFAOYSA-N
XLogP2.27
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[3-[3-(methylamino)propylamino]-3-oxo-1-phenylpropyl]benzamide
CID 119429690
2-chloro-N-[3-[3-(methylamino)propylamino]-3-oxo-1-phenylpropyl]benzamide;hydrochloride
CID 119429689
N-[(1S)-3-(ethylamino)-3-oxo-1-phenylpropyl]benzamide
CID 94041793
N-[(1S)-3-[2-(diethylamino)ethylamino]-3-oxo-1-phenylpropyl]benzamide
CID 94336143
N-[3-[3-(2,5-dioxopyrrolidin-1-yl)propylamino]-3-oxo-1-phenylpropyl]benzamide
CID 56558590
4-methyl-N-[3-(methylamino)propyl]-3-phenylpentanamide;hydrochloride
CID 119429836
N-[(1R)-3-[[2-(dimethylamino)-2-oxoethyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 9480729
N-[(1R)-3-[[2-(ethylamino)-2-oxoethyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 9224578
(3S)-3-benzamido-3-phenylpropanoic acid
CID 788098
3-benzamido-3-phenylpropanoic acid
CID 2834576
N-[(1S)-3-[2-(4-fluorophenyl)ethylamino]-3-oxo-1-phenylpropyl]benzamide
CID 9210450
3-[2-[(3-benzamido-3-phenylpropanoyl)amino]ethyl]benzoic acid
CID 166201872

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(methylamino)propylamino]-3-oxo-1-phenylpropyl]benzamide?
The IUPAC name of N-[3-[3-(methylamino)propylamino]-3-oxo-1-phenylpropyl]benzamide (CID 119431387) is N-[3-[3-(methylamino)propylamino]-3-oxo-1-phenylpropyl]benzamide.
What is the SMILES notation for N-[3-[3-(methylamino)propylamino]-3-oxo-1-phenylpropyl]benzamide?
The canonical SMILES for N-[3-[3-(methylamino)propylamino]-3-oxo-1-phenylpropyl]benzamide is CNCCCNC(=O)CC(NC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[3-[3-(methylamino)propylamino]-3-oxo-1-phenylpropyl]benzamide?
The InChIKey is XTUONHPNJYLYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-21-13-8-14-22-19(24)15-18(16-9-4-2-5-10-16)23-20(25)17-11-6-3-7-12-17/h2-7,9-12,18,21H,8,13-15H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[3-[3-(methylamino)propylamino]-3-oxo-1-phenylpropyl]benzamide?
N-[3-[3-(methylamino)propylamino]-3-oxo-1-phenylpropyl]benzamide has a molecular weight of 339.44 g/mol, XLogP of 2.27, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(methylamino)propylamino]-3-oxo-1-phenylpropyl]benzamide is sourced from PubChem (CID 119431387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).