3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N,N-dimethylbenzamide

C21H25N3O3 — CID 46420486

IUPAC3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N,N-dimethylbenzamide
SMILESCC(=O)NC(CC(=O)Nc1cccc(C(=O)N(C)C)c1)c1ccc(C)cc1
InChIInChI=1S/C21H25N3O3/c1-14-8-10-16(11-9-14)19(22-15(2)25)13-20(26)23-18-7-5-6-17(12-18)21(27)24(3)4/h5-12,19H,13H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyHMINTZHWFVMEOB-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.90
Rot. Bonds6

About 3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N,N-dimethylbenzamide

3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N,N-dimethylbenzamide (PubChem CID 46420486) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N,N-dimethylbenzamide
PubChem CID46420486
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N,N-dimethylbenzamide
SMILESCC(=O)NC(CC(=O)Nc1cccc(C(=O)N(C)C)c1)c1ccc(C)cc1
InChIInChI=1S/C21H25N3O3/c1-14-8-10-16(11-9-14)19(22-15(2)25)13-20(26)23-18-7-5-6-17(12-18)21(27)24(3)4/h5-12,19H,13H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyHMINTZHWFVMEOB-UHFFFAOYSA-N
XLogP2.90
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]phenyl]acetic acid
CID 119351562
3-acetamido-N-(3,5-dimethylphenyl)-3-(4-methylphenyl)propanamide
CID 51195095
(3S)-3-acetamido-N-(3-methylphenyl)-3-phenylpropanamide
CID 8713924
ethyl 3-[(3-acetamido-3-phenylpropanoyl)amino]benzoate
CID 55394890
N,N'-bis[3-(dimethylcarbamoyl)phenyl]butanediamide
CID 17232267
3-acetamido-3-(4-methylphenyl)-N-pyridin-4-ylpropanamide
CID 51314411
(3R)-3-acetamido-N-(4-methylphenyl)-3-phenylpropanamide
CID 2664823
3-[[3-acetamido-3-(4-chlorophenyl)propanoyl]amino]-N-methylbenzamide
CID 46585410
3-acetamido-N-(3,4-difluorophenyl)-3-(4-methylphenyl)propanamide
CID 51195190
N,N-dimethyl-3-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzamide
CID 32849543
3-acetamido-N-(3,5-dichlorophenyl)-3-(4-methylphenyl)propanamide
CID 55377328
3-acetamido-N-(3-bromophenyl)-3-phenylpropanamide
CID 22107830

Frequently Asked Questions

What is the IUPAC name of 3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N,N-dimethylbenzamide (CID 46420486) is 3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N,N-dimethylbenzamide is CC(=O)NC(CC(=O)Nc1cccc(C(=O)N(C)C)c1)c1ccc(C)cc1.
What is the InChIKey of 3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N,N-dimethylbenzamide?
The InChIKey is HMINTZHWFVMEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-14-8-10-16(11-9-14)19(22-15(2)25)13-20(26)23-18-7-5-6-17(12-18)21(27)24(3)4/h5-12,19H,13H2,1-4H3,(H,22,25)(H,23,26).
What are the key properties of 3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N,N-dimethylbenzamide?
3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N,N-dimethylbenzamide has a molecular weight of 367.45 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 46420486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).