3-[acetyl-[(4-methylphenyl)methyl]amino]-N-[4-(dimethylamino)phenyl]propanamide

C21H27N3O2 — CID 113118858

IUPAC3-[acetyl-[(4-methylphenyl)methyl]amino]-N-[4-(dimethylamino)phenyl]propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(N(C)C)cc1)Cc1ccc(C)cc1
InChIInChI=1S/C21H27N3O2/c1-16-5-7-18(8-6-16)15-24(17(2)25)14-13-21(26)22-19-9-11-20(12-10-19)23(3)4/h5-12H,13-15H2,1-4H3,(H,22,26)
InChIKeySNQBUKSGJDIOGP-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.44
Rot. Bonds7

About 3-[acetyl-[(4-methylphenyl)methyl]amino]-N-[4-(dimethylamino)phenyl]propanamide

3-[acetyl-[(4-methylphenyl)methyl]amino]-N-[4-(dimethylamino)phenyl]propanamide (PubChem CID 113118858) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 3-[acetyl-[(4-methylphenyl)methyl]amino]-N-[4-(dimethylamino)phenyl]propanamide.

Molecular Properties

Compound Name3-[acetyl-[(4-methylphenyl)methyl]amino]-N-[4-(dimethylamino)phenyl]propanamide
PubChem CID113118858
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name3-[acetyl-[(4-methylphenyl)methyl]amino]-N-[4-(dimethylamino)phenyl]propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(N(C)C)cc1)Cc1ccc(C)cc1
InChIInChI=1S/C21H27N3O2/c1-16-5-7-18(8-6-16)15-24(17(2)25)14-13-21(26)22-19-9-11-20(12-10-19)23(3)4/h5-12H,13-15H2,1-4H3,(H,22,26)
InChIKeySNQBUKSGJDIOGP-UHFFFAOYSA-N
XLogP3.44
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[3-[acetyl-[(4-methylphenyl)methyl]amino]propanoylamino]benzoate
CID 113118870
3-[acetyl(pyridin-3-ylmethyl)amino]-N-[4-(dimethylamino)phenyl]propanamide
CID 113120489
3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(3-chloro-4-methylphenyl)propanamide
CID 113118831
3-[acetyl(1,3-benzodioxol-5-ylmethyl)amino]-N-(4-methylphenyl)propanamide
CID 113120084
N'-[4-(dimethylamino)phenyl]-N-(4-methylphenyl)propanediamide
CID 108953119
3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(4-ethylphenyl)propanamide
CID 113119327
3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(2,4-dimethylphenyl)propanamide
CID 113118806
3-[acetyl(benzyl)amino]-N-(4-fluorophenyl)propanamide
CID 113118291
3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(4-ethylphenyl)propanamide
CID 113119947
3-(N-acetyl-3-methylanilino)-N-[4-(dimethylamino)phenyl]propanamide
CID 113123875
3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(4-fluorophenyl)propanamide
CID 113119958
3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(2,3,4-trifluorophenyl)propanamide
CID 113118886

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[(4-methylphenyl)methyl]amino]-N-[4-(dimethylamino)phenyl]propanamide?
The IUPAC name of 3-[acetyl-[(4-methylphenyl)methyl]amino]-N-[4-(dimethylamino)phenyl]propanamide (CID 113118858) is 3-[acetyl-[(4-methylphenyl)methyl]amino]-N-[4-(dimethylamino)phenyl]propanamide.
What is the SMILES notation for 3-[acetyl-[(4-methylphenyl)methyl]amino]-N-[4-(dimethylamino)phenyl]propanamide?
The canonical SMILES for 3-[acetyl-[(4-methylphenyl)methyl]amino]-N-[4-(dimethylamino)phenyl]propanamide is CC(=O)N(CCC(=O)Nc1ccc(N(C)C)cc1)Cc1ccc(C)cc1.
What is the InChIKey of 3-[acetyl-[(4-methylphenyl)methyl]amino]-N-[4-(dimethylamino)phenyl]propanamide?
The InChIKey is SNQBUKSGJDIOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-16-5-7-18(8-6-16)15-24(17(2)25)14-13-21(26)22-19-9-11-20(12-10-19)23(3)4/h5-12H,13-15H2,1-4H3,(H,22,26).
What are the key properties of 3-[acetyl-[(4-methylphenyl)methyl]amino]-N-[4-(dimethylamino)phenyl]propanamide?
3-[acetyl-[(4-methylphenyl)methyl]amino]-N-[4-(dimethylamino)phenyl]propanamide has a molecular weight of 353.47 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[(4-methylphenyl)methyl]amino]-N-[4-(dimethylamino)phenyl]propanamide is sourced from PubChem (CID 113118858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).