N,N-dimethyl-3-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide

C26H28N4O3 — CID 54840725

IUPACN,N-dimethyl-3-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide
SMILESCN(C)C(=O)c1cccc(NCC(=O)Nc2ccc(NC(=O)CCc3ccccc3)cc2)c1
InChIInChI=1S/C26H28N4O3/c1-30(2)26(33)20-9-6-10-23(17-20)27-18-25(32)29-22-14-12-21(13-15-22)28-24(31)16-11-19-7-4-3-5-8-19/h3-10,12-15,17,27H,11,16,18H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyJPNCFKDZPKZKIH-UHFFFAOYSA-N
MW444.54 g/mol
LogP4.01
Rot. Bonds9

About N,N-dimethyl-3-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide

N,N-dimethyl-3-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide (PubChem CID 54840725) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is N,N-dimethyl-3-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide
PubChem CID54840725
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC NameN,N-dimethyl-3-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide
SMILESCN(C)C(=O)c1cccc(NCC(=O)Nc2ccc(NC(=O)CCc3ccccc3)cc2)c1
InChIInChI=1S/C26H28N4O3/c1-30(2)26(33)20-9-6-10-23(17-20)27-18-25(32)29-22-14-12-21(13-15-22)28-24(31)16-11-19-7-4-3-5-8-19/h3-10,12-15,17,27H,11,16,18H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyJPNCFKDZPKZKIH-UHFFFAOYSA-N
XLogP4.01
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N,N-dimethyl-3-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]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

3-[[2-[4-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 54840700
3-[[2-[4-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54838290
N,N-dimethyl-3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]benzamide
CID 54840880
3-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]-N-benzyl-N-methylbenzamide
CID 54841952
N-[4-[(2-anilinoacetyl)amino]phenyl]-3-phenylpropanamide
CID 54810342
N-[3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54837505
3-methyl-N-[4-[[2-[3-(3-phenylpropanoylamino)anilino]acetyl]amino]phenyl]benzamide
CID 54837534
N-methyl-4-[[2-oxo-2-[3-(3-phenylpropanoylamino)anilino]ethyl]amino]-N-phenylbenzamide
CID 54838477
methyl 4-[[2-[3-[benzyl(methyl)carbamoyl]anilino]acetyl]amino]benzoate
CID 54842086
N-[3-[[2-(4-methylanilino)acetyl]amino]phenyl]-3-phenylpropanamide
CID 54814254
N-[4-[[2-(dimethylamino)-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
CID 54839252
N-butyl-3-[[2-[3-(3-phenylpropanoylamino)anilino]acetyl]amino]benzamide
CID 54837288

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide?
The IUPAC name of N,N-dimethyl-3-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide (CID 54840725) is N,N-dimethyl-3-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide.
What is the SMILES notation for N,N-dimethyl-3-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide?
The canonical SMILES for N,N-dimethyl-3-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide is CN(C)C(=O)c1cccc(NCC(=O)Nc2ccc(NC(=O)CCc3ccccc3)cc2)c1.
What is the InChIKey of N,N-dimethyl-3-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide?
The InChIKey is JPNCFKDZPKZKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3/c1-30(2)26(33)20-9-6-10-23(17-20)27-18-25(32)29-22-14-12-21(13-15-22)28-24(31)16-11-19-7-4-3-5-8-19/h3-10,12-15,17,27H,11,16,18H2,1-2H3,(H,28,31)(H,29,32).
What are the key properties of N,N-dimethyl-3-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide?
N,N-dimethyl-3-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide has a molecular weight of 444.54 g/mol, XLogP of 4.01, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide is sourced from PubChem (CID 54840725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).