3-(N-acetyl-2-methoxyanilino)-N-[4-(diethylamino)-2-methylphenyl]propanamide

C23H31N3O3 — CID 113128858

IUPAC3-(N-acetyl-2-methoxyanilino)-N-[4-(diethylamino)-2-methylphenyl]propanamide
SMILESCCN(CC)c1ccc(NC(=O)CCN(C(C)=O)c2ccccc2OC)c(C)c1
InChIInChI=1S/C23H31N3O3/c1-6-25(7-2)19-12-13-20(17(3)16-19)24-23(28)14-15-26(18(4)27)21-10-8-9-11-22(21)29-5/h8-13,16H,6-7,14-15H2,1-5H3,(H,24,28)
InChIKeyMZBVUGFYLMWAPV-UHFFFAOYSA-N
MW397.52 g/mol
LogP4.23
Rot. Bonds9

About 3-(N-acetyl-2-methoxyanilino)-N-[4-(diethylamino)-2-methylphenyl]propanamide

3-(N-acetyl-2-methoxyanilino)-N-[4-(diethylamino)-2-methylphenyl]propanamide (PubChem CID 113128858) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is 3-(N-acetyl-2-methoxyanilino)-N-[4-(diethylamino)-2-methylphenyl]propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2-methoxyanilino)-N-[4-(diethylamino)-2-methylphenyl]propanamide
PubChem CID113128858
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC Name3-(N-acetyl-2-methoxyanilino)-N-[4-(diethylamino)-2-methylphenyl]propanamide
SMILESCCN(CC)c1ccc(NC(=O)CCN(C(C)=O)c2ccccc2OC)c(C)c1
InChIInChI=1S/C23H31N3O3/c1-6-25(7-2)19-12-13-20(17(3)16-19)24-23(28)14-15-26(18(4)27)21-10-8-9-11-22(21)29-5/h8-13,16H,6-7,14-15H2,1-5H3,(H,24,28)
InChIKeyMZBVUGFYLMWAPV-UHFFFAOYSA-N
XLogP4.23
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(N-acetyl-2,3-dimethylanilino)-N-[4-(diethylamino)-2-methylphenyl]propanamide
CID 113125142
N-[4-(diethylamino)-2-methylphenyl]-3-(2-methoxyanilino)propanamide
CID 109039466
3-(N-acetyl-2-methoxyanilino)-N-(2,4-dimethoxyphenyl)propanamide
CID 113128824
3-(N-acetyl-2-methoxyanilino)-N-(2-fluorophenyl)propanamide
CID 113128801
3-(N-acetyl-2-methoxyanilino)-N-(2-ethylphenyl)propanamide
CID 113128790
3-(N-acetyl-2-methoxyanilino)-N-(2,5-dimethoxyphenyl)propanamide
CID 113128823
3-[N-acetyl-4-(diethylamino)anilino]-N-(2-methylphenyl)propanamide
CID 113131881
3-(N-acetyl-2,4-dimethoxyanilino)-N-(2,4-dimethylphenyl)propanamide
CID 113130127
3-(N-acetyl-2-methoxyanilino)-N-(3-chloro-4-methylphenyl)propanamide
CID 113128809
3-(N-acetyl-3,5-dimethylanilino)-N-(2-methoxyphenyl)propanamide
CID 113124754
N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 837078
3-[acetyl(pyridin-2-ylmethyl)amino]-N-[4-(diethylamino)-2-methylphenyl]propanamide
CID 113120329

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2-methoxyanilino)-N-[4-(diethylamino)-2-methylphenyl]propanamide?
The IUPAC name of 3-(N-acetyl-2-methoxyanilino)-N-[4-(diethylamino)-2-methylphenyl]propanamide (CID 113128858) is 3-(N-acetyl-2-methoxyanilino)-N-[4-(diethylamino)-2-methylphenyl]propanamide.
What is the SMILES notation for 3-(N-acetyl-2-methoxyanilino)-N-[4-(diethylamino)-2-methylphenyl]propanamide?
The canonical SMILES for 3-(N-acetyl-2-methoxyanilino)-N-[4-(diethylamino)-2-methylphenyl]propanamide is CCN(CC)c1ccc(NC(=O)CCN(C(C)=O)c2ccccc2OC)c(C)c1.
What is the InChIKey of 3-(N-acetyl-2-methoxyanilino)-N-[4-(diethylamino)-2-methylphenyl]propanamide?
The InChIKey is MZBVUGFYLMWAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-6-25(7-2)19-12-13-20(17(3)16-19)24-23(28)14-15-26(18(4)27)21-10-8-9-11-22(21)29-5/h8-13,16H,6-7,14-15H2,1-5H3,(H,24,28).
What are the key properties of 3-(N-acetyl-2-methoxyanilino)-N-[4-(diethylamino)-2-methylphenyl]propanamide?
3-(N-acetyl-2-methoxyanilino)-N-[4-(diethylamino)-2-methylphenyl]propanamide has a molecular weight of 397.52 g/mol, XLogP of 4.23, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2-methoxyanilino)-N-[4-(diethylamino)-2-methylphenyl]propanamide is sourced from PubChem (CID 113128858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).