4-[2-(dimethylamino)-3-[[2-(N-propan-2-ylanilino)acetyl]amino]propyl]-3,5-dimethylbenzamide

C25H36N4O2 — CID 139569061

IUPAC4-[2-(dimethylamino)-3-[[2-(N-propan-2-ylanilino)acetyl]amino]propyl]-3,5-dimethylbenzamide
SMILESCc1cc(C(N)=O)cc(C)c1CC(CNC(=O)CN(c1ccccc1)C(C)C)N(C)C
InChIInChI=1S/C25H36N4O2/c1-17(2)29(21-10-8-7-9-11-21)16-24(30)27-15-22(28(5)6)14-23-18(3)12-20(25(26)31)13-19(23)4/h7-13,17,22H,14-16H2,1-6H3,(H2,26,31)(H,27,30)
InChIKeyQLSMKMNNPUAVGW-UHFFFAOYSA-N
MW424.59 g/mol
LogP2.91
Rot. Bonds10

About 4-[2-(dimethylamino)-3-[[2-(N-propan-2-ylanilino)acetyl]amino]propyl]-3,5-dimethylbenzamide

4-[2-(dimethylamino)-3-[[2-(N-propan-2-ylanilino)acetyl]amino]propyl]-3,5-dimethylbenzamide (PubChem CID 139569061) has the molecular formula C25H36N4O2 and a molecular weight of 424.59 g/mol. Its IUPAC name is 4-[2-(dimethylamino)-3-[[2-(N-propan-2-ylanilino)acetyl]amino]propyl]-3,5-dimethylbenzamide.

Molecular Properties

Compound Name4-[2-(dimethylamino)-3-[[2-(N-propan-2-ylanilino)acetyl]amino]propyl]-3,5-dimethylbenzamide
PubChem CID139569061
Molecular FormulaC25H36N4O2
Molecular Weight424.59 g/mol
Exact Mass424.28
IUPAC Name4-[2-(dimethylamino)-3-[[2-(N-propan-2-ylanilino)acetyl]amino]propyl]-3,5-dimethylbenzamide
SMILESCc1cc(C(N)=O)cc(C)c1CC(CNC(=O)CN(c1ccccc1)C(C)C)N(C)C
InChIInChI=1S/C25H36N4O2/c1-17(2)29(21-10-8-7-9-11-21)16-24(30)27-15-22(28(5)6)14-23-18(3)12-20(25(26)31)13-19(23)4/h7-13,17,22H,14-16H2,1-6H3,(H2,26,31)(H,27,30)
InChIKeyQLSMKMNNPUAVGW-UHFFFAOYSA-N
XLogP2.91
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.59
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[2-(dimethylamino)-3-[[2-(N-propan-2-ylanilino)acetyl]amino]propyl]-3,5-dimethylbenzamide 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

4-[2-(dimethylamino)-3-[[(3S)-3-phenylbutanoyl]amino]propyl]-3,5-dimethylbenzamide
CID 139568807
4-[2-(dimethylamino)-3-[(4-methyl-3-phenylpentanoyl)amino]propyl]-3,5-dimethylbenzamide
CID 174218367
[(1S)-1-phenylethyl] N-[(2S)-3-(4-carbamoyl-2,6-dimethylphenyl)-2-(dimethylamino)propyl]carbamate
CID 139568826
4-[(2S)-3-[[(3S)-3-cyclopropyl-3-phenylpropanoyl]amino]-2-(dimethylamino)propyl]-3,5-dimethylbenzamide;4-[(2S)-3-[[(3R)-3-cyclopropyl-3-phenylpropanoyl]amino]-2-(dimethylamino)propyl]-3,5-dimethylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-4,4-dimethyl-3-phenylpentanoyl]amino]propyl]-3,5-dimethylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-5-methyl-3-phenylhexanoyl]amino]propyl]-3,5-dimethylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-4-methyl-3-phenylpentanoyl]amino]propyl]-3,5-dimethylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-4-methyl-3-phenylpentanoyl]amino]propyl]-3,5-dimethylbenzamide
CID 167626677
4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-phenylbutanoyl]amino]propyl]benzamide
CID 139568810
(3R)-N-[(2S)-2-(dimethylamino)-3-(2,6-dimethyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-2-ylhexanamide
CID 167578145
3-chloro-4-[(2S)-2-(dimethylamino)-3-[[(3R)-4-methyl-3-phenylpentanoyl]amino]propyl]benzamide
CID 165405406
3-chloro-4-[2-(dimethylamino)-3-[(4-methyl-3-phenylpentanoyl)amino]propyl]benzamide
CID 175526077
N-[2-[[2-(dimethylamino)-3-phenylpropyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 51186432
(2S)-3-(4-carbamoyl-2,6-dimethylphenyl)-2-methylpropanoic acid
CID 25418834
4-[(2S)-3-[(3-chlorobenzoyl)amino]-2-(dimethylamino)propyl]-N,3,5-trimethylbenzamide
CID 139568835
3-amino-N-[2-(dimethylamino)-4-methylpentyl]-3-phenylpropanamide;dihydrochloride
CID 119952947

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)-3-[[2-(N-propan-2-ylanilino)acetyl]amino]propyl]-3,5-dimethylbenzamide?
The IUPAC name of 4-[2-(dimethylamino)-3-[[2-(N-propan-2-ylanilino)acetyl]amino]propyl]-3,5-dimethylbenzamide (CID 139569061) is 4-[2-(dimethylamino)-3-[[2-(N-propan-2-ylanilino)acetyl]amino]propyl]-3,5-dimethylbenzamide.
What is the SMILES notation for 4-[2-(dimethylamino)-3-[[2-(N-propan-2-ylanilino)acetyl]amino]propyl]-3,5-dimethylbenzamide?
The canonical SMILES for 4-[2-(dimethylamino)-3-[[2-(N-propan-2-ylanilino)acetyl]amino]propyl]-3,5-dimethylbenzamide is Cc1cc(C(N)=O)cc(C)c1CC(CNC(=O)CN(c1ccccc1)C(C)C)N(C)C.
What is the InChIKey of 4-[2-(dimethylamino)-3-[[2-(N-propan-2-ylanilino)acetyl]amino]propyl]-3,5-dimethylbenzamide?
The InChIKey is QLSMKMNNPUAVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O2/c1-17(2)29(21-10-8-7-9-11-21)16-24(30)27-15-22(28(5)6)14-23-18(3)12-20(25(26)31)13-19(23)4/h7-13,17,22H,14-16H2,1-6H3,(H2,26,31)(H,27,30).
What are the key properties of 4-[2-(dimethylamino)-3-[[2-(N-propan-2-ylanilino)acetyl]amino]propyl]-3,5-dimethylbenzamide?
4-[2-(dimethylamino)-3-[[2-(N-propan-2-ylanilino)acetyl]amino]propyl]-3,5-dimethylbenzamide has a molecular weight of 424.59 g/mol, XLogP of 2.91, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)-3-[[2-(N-propan-2-ylanilino)acetyl]amino]propyl]-3,5-dimethylbenzamide is sourced from PubChem (CID 139569061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).