N-[4-(3-methoxy-4-methylanilino)phenyl]-3-oxobutanamide

C18H20N2O3 — CID 110179860

IUPACN-[4-(3-methoxy-4-methylanilino)phenyl]-3-oxobutanamide
SMILESCOc1cc(Nc2ccc(NC(=O)CC(C)=O)cc2)ccc1C
InChIInChI=1S/C18H20N2O3/c1-12-4-5-16(11-17(12)23-3)19-14-6-8-15(9-7-14)20-18(22)10-13(2)21/h4-9,11,19H,10H2,1-3H3,(H,20,22)
InChIKeyNLUVALBVJABZAM-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.66
Rot. Bonds6

About N-[4-(3-methoxy-4-methylanilino)phenyl]-3-oxobutanamide

N-[4-(3-methoxy-4-methylanilino)phenyl]-3-oxobutanamide (PubChem CID 110179860) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[4-(3-methoxy-4-methylanilino)phenyl]-3-oxobutanamide.

Molecular Properties

Compound NameN-[4-(3-methoxy-4-methylanilino)phenyl]-3-oxobutanamide
PubChem CID110179860
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-[4-(3-methoxy-4-methylanilino)phenyl]-3-oxobutanamide
SMILESCOc1cc(Nc2ccc(NC(=O)CC(C)=O)cc2)ccc1C
InChIInChI=1S/C18H20N2O3/c1-12-4-5-16(11-17(12)23-3)19-14-6-8-15(9-7-14)20-18(22)10-13(2)21/h4-9,11,19H,10H2,1-3H3,(H,20,22)
InChIKeyNLUVALBVJABZAM-UHFFFAOYSA-N
XLogP3.66
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[4-methoxy-3-[2-methoxy-5-(3-oxobutanoylamino)phenyl]phenyl]-3-oxobutanamide
CID 101275812
N-(4-ethoxy-3-methoxyphenyl)-3-oxobutanamide
CID 18072376
N-[4-(3,4,5-trimethoxyanilino)phenyl]propanamide
CID 112989467
N-(3-methoxy-4-methylphenyl)-2-methylprop-2-enamide
CID 134123045
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
N-(4-acetamidophenyl)-2-(4-methoxy-2,5-dimethylphenyl)acetamide
CID 110768014
2-(3-methoxy-4-methylphenyl)-N-(4-methoxy-3-methylphenyl)acetamide
CID 87032377
3-methoxy-4-methyl-N-(4-methylphenyl)benzamide
CID 9071746
N-[4-(hydroxymethyl)phenyl]-3-methoxy-4-methylbenzamide
CID 64793166
N-(4-methoxyphenyl)-3-oxobutanamide;N-(2-methylphenyl)-3-oxobutanamide
CID 121282896
N-(4-methoxy-2-methylphenyl)-3-oxobutanamide
CID 20565334
N-[4-(3-methoxyanilino)phenyl]-2-(2-methylphenyl)acetamide
CID 112987456

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methoxy-4-methylanilino)phenyl]-3-oxobutanamide?
The IUPAC name of N-[4-(3-methoxy-4-methylanilino)phenyl]-3-oxobutanamide (CID 110179860) is N-[4-(3-methoxy-4-methylanilino)phenyl]-3-oxobutanamide.
What is the SMILES notation for N-[4-(3-methoxy-4-methylanilino)phenyl]-3-oxobutanamide?
The canonical SMILES for N-[4-(3-methoxy-4-methylanilino)phenyl]-3-oxobutanamide is COc1cc(Nc2ccc(NC(=O)CC(C)=O)cc2)ccc1C.
What is the InChIKey of N-[4-(3-methoxy-4-methylanilino)phenyl]-3-oxobutanamide?
The InChIKey is NLUVALBVJABZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-12-4-5-16(11-17(12)23-3)19-14-6-8-15(9-7-14)20-18(22)10-13(2)21/h4-9,11,19H,10H2,1-3H3,(H,20,22).
What are the key properties of N-[4-(3-methoxy-4-methylanilino)phenyl]-3-oxobutanamide?
N-[4-(3-methoxy-4-methylanilino)phenyl]-3-oxobutanamide has a molecular weight of 312.37 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methoxy-4-methylanilino)phenyl]-3-oxobutanamide is sourced from PubChem (CID 110179860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).