N-(3-amino-4-methoxyphenyl)-4-(4-ethylphenyl)-4-oxobutanamide

C19H22N2O3 — CID 119419435

IUPACN-(3-amino-4-methoxyphenyl)-4-(4-ethylphenyl)-4-oxobutanamide
SMILESCCc1ccc(C(=O)CCC(=O)Nc2ccc(OC)c(N)c2)cc1
InChIInChI=1S/C19H22N2O3/c1-3-13-4-6-14(7-5-13)17(22)9-11-19(23)21-15-8-10-18(24-2)16(20)12-15/h4-8,10,12H,3,9,11,20H2,1-2H3,(H,21,23)
InChIKeyVZYYINOXJLIILT-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.44
Rot. Bonds7

About N-(3-amino-4-methoxyphenyl)-4-(4-ethylphenyl)-4-oxobutanamide

N-(3-amino-4-methoxyphenyl)-4-(4-ethylphenyl)-4-oxobutanamide (PubChem CID 119419435) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-4-(4-ethylphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-4-(4-ethylphenyl)-4-oxobutanamide
PubChem CID119419435
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-(3-amino-4-methoxyphenyl)-4-(4-ethylphenyl)-4-oxobutanamide
SMILESCCc1ccc(C(=O)CCC(=O)Nc2ccc(OC)c(N)c2)cc1
InChIInChI=1S/C19H22N2O3/c1-3-13-4-6-14(7-5-13)17(22)9-11-19(23)21-15-8-10-18(24-2)16(20)12-15/h4-8,10,12H,3,9,11,20H2,1-2H3,(H,21,23)
InChIKeyVZYYINOXJLIILT-UHFFFAOYSA-N
XLogP3.44
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-4-methoxyphenyl)-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide;hydrochloride
CID 119419812
N-(3-amino-4-methoxyphenyl)-4-ethylbenzamide
CID 43599944
4-(4-ethylphenyl)-N-[4-(methanesulfonamido)-3-methoxyphenyl]-4-oxobutanamide
CID 37257823
N-(3-amino-4-methoxyphenyl)octadecanamide
CID 11361725
N-(3-amino-4-methoxyphenyl)octanamide
CID 43599945
N-(3-amino-4-methoxyphenyl)-3-(4-ethoxyphenyl)propanamide
CID 119419441
N-(4-ethylphenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 2443081
N-(3-amino-4-methoxyphenyl)-4-(4-methoxyphenyl)butanamide
CID 119418954
N-(3,4-dimethoxyphenyl)-3-(4-ethylphenyl)propanamide
CID 41453982
4-(4-ethylphenyl)-4-oxo-N-pyridin-4-ylbutanamide
CID 27699850
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 4-ethylbenzoate
CID 2607173
N-(3-bromophenyl)-4-(4-ethylphenyl)-4-oxobutanamide
CID 24643347

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-4-(4-ethylphenyl)-4-oxobutanamide?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-4-(4-ethylphenyl)-4-oxobutanamide (CID 119419435) is N-(3-amino-4-methoxyphenyl)-4-(4-ethylphenyl)-4-oxobutanamide.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-4-(4-ethylphenyl)-4-oxobutanamide?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-4-(4-ethylphenyl)-4-oxobutanamide is CCc1ccc(C(=O)CCC(=O)Nc2ccc(OC)c(N)c2)cc1.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-4-(4-ethylphenyl)-4-oxobutanamide?
The InChIKey is VZYYINOXJLIILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-3-13-4-6-14(7-5-13)17(22)9-11-19(23)21-15-8-10-18(24-2)16(20)12-15/h4-8,10,12H,3,9,11,20H2,1-2H3,(H,21,23).
What are the key properties of N-(3-amino-4-methoxyphenyl)-4-(4-ethylphenyl)-4-oxobutanamide?
N-(3-amino-4-methoxyphenyl)-4-(4-ethylphenyl)-4-oxobutanamide has a molecular weight of 326.40 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)-4-(4-ethylphenyl)-4-oxobutanamide is sourced from PubChem (CID 119419435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).