3-(N-acetyl-3-methylanilino)-N-[4-(dimethylamino)phenyl]propanamide

C20H25N3O2 — CID 113123875

IUPAC3-(N-acetyl-3-methylanilino)-N-[4-(dimethylamino)phenyl]propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(N(C)C)cc1)c1cccc(C)c1
InChIInChI=1S/C20H25N3O2/c1-15-6-5-7-19(14-15)23(16(2)24)13-12-20(25)21-17-8-10-18(11-9-17)22(3)4/h5-11,14H,12-13H2,1-4H3,(H,21,25)
InChIKeyYNDZJFZADRDEPS-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.44
Rot. Bonds6

About 3-(N-acetyl-3-methylanilino)-N-[4-(dimethylamino)phenyl]propanamide

3-(N-acetyl-3-methylanilino)-N-[4-(dimethylamino)phenyl]propanamide (PubChem CID 113123875) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-(N-acetyl-3-methylanilino)-N-[4-(dimethylamino)phenyl]propanamide.

Molecular Properties

Compound Name3-(N-acetyl-3-methylanilino)-N-[4-(dimethylamino)phenyl]propanamide
PubChem CID113123875
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name3-(N-acetyl-3-methylanilino)-N-[4-(dimethylamino)phenyl]propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(N(C)C)cc1)c1cccc(C)c1
InChIInChI=1S/C20H25N3O2/c1-15-6-5-7-19(14-15)23(16(2)24)13-12-20(25)21-17-8-10-18(11-9-17)22(3)4/h5-11,14H,12-13H2,1-4H3,(H,21,25)
InChIKeyYNDZJFZADRDEPS-UHFFFAOYSA-N
XLogP3.44
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
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

3-(N-acetyl-3-methylanilino)-N-(4-methylphenyl)propanamide
CID 113123816
3-(N-acetyl-3-methylanilino)-N-(4-tert-butylphenyl)propanamide
CID 113123836
3-(N-acetyl-3-methylanilino)-N-(4-methoxyphenyl)propanamide
CID 113123854
3-(N-acetyl-3-methylanilino)-N-(3-chloro-4-methylphenyl)propanamide
CID 113123845
3-(N-acetyl-3-methylanilino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 113123846
3-(N-acetyl-3-methylanilino)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 113123896
3-(N-acetyl-3,4-dimethylanilino)-N-(4-methylphenyl)propanamide
CID 113124546
3-(N-acetyl-3-methylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113123741
methyl 3-[acetyl-[3-(3-methylanilino)-3-oxopropyl]amino]benzoate
CID 113131394
3-[N-acetyl-4-(dimethylamino)anilino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 113131796
3-(N-acetyl-3-chloroanilino)-N-[4-(diethylamino)phenyl]propanamide
CID 113127314
3-(3-acetamido-N-acetylanilino)-N-(4-fluorophenyl)propanamide
CID 113131024

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-3-methylanilino)-N-[4-(dimethylamino)phenyl]propanamide?
The IUPAC name of 3-(N-acetyl-3-methylanilino)-N-[4-(dimethylamino)phenyl]propanamide (CID 113123875) is 3-(N-acetyl-3-methylanilino)-N-[4-(dimethylamino)phenyl]propanamide.
What is the SMILES notation for 3-(N-acetyl-3-methylanilino)-N-[4-(dimethylamino)phenyl]propanamide?
The canonical SMILES for 3-(N-acetyl-3-methylanilino)-N-[4-(dimethylamino)phenyl]propanamide is CC(=O)N(CCC(=O)Nc1ccc(N(C)C)cc1)c1cccc(C)c1.
What is the InChIKey of 3-(N-acetyl-3-methylanilino)-N-[4-(dimethylamino)phenyl]propanamide?
The InChIKey is YNDZJFZADRDEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-15-6-5-7-19(14-15)23(16(2)24)13-12-20(25)21-17-8-10-18(11-9-17)22(3)4/h5-11,14H,12-13H2,1-4H3,(H,21,25).
What are the key properties of 3-(N-acetyl-3-methylanilino)-N-[4-(dimethylamino)phenyl]propanamide?
3-(N-acetyl-3-methylanilino)-N-[4-(dimethylamino)phenyl]propanamide has a molecular weight of 339.44 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-3-methylanilino)-N-[4-(dimethylamino)phenyl]propanamide is sourced from PubChem (CID 113123875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).