N-acetyl-3-(4-methoxyanilino)-2-phenylbutanamide

C19H22N2O3 — CID 10829990

IUPACN-acetyl-3-(4-methoxyanilino)-2-phenylbutanamide
SMILESCOc1ccc(NC(C)C(C(=O)NC(C)=O)c2ccccc2)cc1
InChIInChI=1S/C19H22N2O3/c1-13(20-16-9-11-17(24-3)12-10-16)18(19(23)21-14(2)22)15-7-5-4-6-8-15/h4-13,18,20H,1-3H3,(H,21,22,23)
InChIKeyAHYSXHMTPRWIBE-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.94
Rot. Bonds6

About N-acetyl-3-(4-methoxyanilino)-2-phenylbutanamide

N-acetyl-3-(4-methoxyanilino)-2-phenylbutanamide (PubChem CID 10829990) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-acetyl-3-(4-methoxyanilino)-2-phenylbutanamide.

Molecular Properties

Compound NameN-acetyl-3-(4-methoxyanilino)-2-phenylbutanamide
PubChem CID10829990
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-acetyl-3-(4-methoxyanilino)-2-phenylbutanamide
SMILESCOc1ccc(NC(C)C(C(=O)NC(C)=O)c2ccccc2)cc1
InChIInChI=1S/C19H22N2O3/c1-13(20-16-9-11-17(24-3)12-10-16)18(19(23)21-14(2)22)15-7-5-4-6-8-15/h4-13,18,20H,1-3H3,(H,21,22,23)
InChIKeyAHYSXHMTPRWIBE-UHFFFAOYSA-N
XLogP2.94
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

(1R)-2-(4-methoxyanilino)-1-phenylpropan-1-ol
CID 102174473
(2R,3S)-2,3-dihydroxy-N-(4-methoxyphenyl)-3-phenylpropanamide
CID 11087415
[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl]-[(1R)-1-phenylethyl]azanium
CID 9248614
[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl]-[(1R)-1-phenylethyl]azanium
CID 9248610
methyl (2S,3R)-2-hydroxy-3-(4-methoxyanilino)-3-phenylpropanoate
CID 102470524
N-acetyl-2-phenylpropanamide
CID 134890422
methyl (2S,3R)-2-(4-methoxyanilino)-3-methyl-4-oxobutanoate
CID 101391290
(2R)-N-(4-anilinophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2203307
ethyl 2-(4-methoxyanilino)-2-phenylacetate
CID 13004504
(2S)-N-(4-methoxyphenyl)-2-[[(1R)-1-phenylethyl]amino]propanamide
CID 9248611
ethyl (2S,3R)-3-(4-methoxyanilino)-2-methyl-3-phenylpropanoate
CID 100975098
(1R,2R)-2-(4-methoxyanilino)-1,2-diphenylethanol
CID 102584488

Frequently Asked Questions

What is the IUPAC name of N-acetyl-3-(4-methoxyanilino)-2-phenylbutanamide?
The IUPAC name of N-acetyl-3-(4-methoxyanilino)-2-phenylbutanamide (CID 10829990) is N-acetyl-3-(4-methoxyanilino)-2-phenylbutanamide.
What is the SMILES notation for N-acetyl-3-(4-methoxyanilino)-2-phenylbutanamide?
The canonical SMILES for N-acetyl-3-(4-methoxyanilino)-2-phenylbutanamide is COc1ccc(NC(C)C(C(=O)NC(C)=O)c2ccccc2)cc1.
What is the InChIKey of N-acetyl-3-(4-methoxyanilino)-2-phenylbutanamide?
The InChIKey is AHYSXHMTPRWIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-13(20-16-9-11-17(24-3)12-10-16)18(19(23)21-14(2)22)15-7-5-4-6-8-15/h4-13,18,20H,1-3H3,(H,21,22,23).
What are the key properties of N-acetyl-3-(4-methoxyanilino)-2-phenylbutanamide?
N-acetyl-3-(4-methoxyanilino)-2-phenylbutanamide has a molecular weight of 326.40 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-3-(4-methoxyanilino)-2-phenylbutanamide is sourced from PubChem (CID 10829990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).