N,N-diethyl-3-[(4-naphthalen-2-yl-4-oxobutanoyl)amino]benzamide

C25H26N2O3 — CID 9093109

IUPACN,N-diethyl-3-[(4-naphthalen-2-yl-4-oxobutanoyl)amino]benzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)CCC(=O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C25H26N2O3/c1-3-27(4-2)25(30)21-10-7-11-22(17-21)26-24(29)15-14-23(28)20-13-12-18-8-5-6-9-19(18)16-20/h5-13,16-17H,3-4,14-15H2,1-2H3,(H,26,29)
InChIKeyXTYZNDTXFURITN-UHFFFAOYSA-N
MW402.49 g/mol
LogP4.92
Rot. Bonds8

About N,N-diethyl-3-[(4-naphthalen-2-yl-4-oxobutanoyl)amino]benzamide

N,N-diethyl-3-[(4-naphthalen-2-yl-4-oxobutanoyl)amino]benzamide (PubChem CID 9093109) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is N,N-diethyl-3-[(4-naphthalen-2-yl-4-oxobutanoyl)amino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-3-[(4-naphthalen-2-yl-4-oxobutanoyl)amino]benzamide
PubChem CID9093109
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC NameN,N-diethyl-3-[(4-naphthalen-2-yl-4-oxobutanoyl)amino]benzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)CCC(=O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C25H26N2O3/c1-3-27(4-2)25(30)21-10-7-11-22(17-21)26-24(29)15-14-23(28)20-13-12-18-8-5-6-9-19(18)16-20/h5-13,16-17H,3-4,14-15H2,1-2H3,(H,26,29)
InChIKeyXTYZNDTXFURITN-UHFFFAOYSA-N
XLogP4.92
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,N-diethyl-3-[(4-naphthalen-2-yl-4-oxobutanoyl)amino]benzamide 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

N,N'-bis[3-(diethylcarbamoyl)phenyl]decanediamide
CID 17194651
N,N-diethyl-3-[3-(4-methoxyphenyl)propanoylamino]benzamide
CID 31287562
N-ethyl-4-naphthalen-2-yl-4-oxobutanamide
CID 9076388
N-(4-chlorophenyl)-4-naphthalen-2-yl-4-oxobutanamide
CID 9073279
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]naphthalene-2-carboxamide
CID 34797434
3-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N,N-diethylbenzamide
CID 54837209
N,N'-bis[3-(dimethylcarbamoyl)phenyl]butanediamide
CID 17232267
3-[3-(1H-benzimidazol-2-yl)propanoylamino]-N,N-diethylbenzamide
CID 35955630
N,N-diethyl-3-[[2-(propan-2-ylamino)acetyl]amino]benzamide
CID 54817607
N,N-diethyl-3-(methylcarbamoylamino)benzamide
CID 47173763
1,4-dinaphthalen-2-ylbutane-1,4-dione
CID 593323
3-[[2-[4-(butanoylamino)anilino]-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54832690

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[(4-naphthalen-2-yl-4-oxobutanoyl)amino]benzamide?
The IUPAC name of N,N-diethyl-3-[(4-naphthalen-2-yl-4-oxobutanoyl)amino]benzamide (CID 9093109) is N,N-diethyl-3-[(4-naphthalen-2-yl-4-oxobutanoyl)amino]benzamide.
What is the SMILES notation for N,N-diethyl-3-[(4-naphthalen-2-yl-4-oxobutanoyl)amino]benzamide?
The canonical SMILES for N,N-diethyl-3-[(4-naphthalen-2-yl-4-oxobutanoyl)amino]benzamide is CCN(CC)C(=O)c1cccc(NC(=O)CCC(=O)c2ccc3ccccc3c2)c1.
What is the InChIKey of N,N-diethyl-3-[(4-naphthalen-2-yl-4-oxobutanoyl)amino]benzamide?
The InChIKey is XTYZNDTXFURITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-3-27(4-2)25(30)21-10-7-11-22(17-21)26-24(29)15-14-23(28)20-13-12-18-8-5-6-9-19(18)16-20/h5-13,16-17H,3-4,14-15H2,1-2H3,(H,26,29).
What are the key properties of N,N-diethyl-3-[(4-naphthalen-2-yl-4-oxobutanoyl)amino]benzamide?
N,N-diethyl-3-[(4-naphthalen-2-yl-4-oxobutanoyl)amino]benzamide has a molecular weight of 402.49 g/mol, XLogP of 4.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[(4-naphthalen-2-yl-4-oxobutanoyl)amino]benzamide is sourced from PubChem (CID 9093109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).