N-[(2S)-1-(3-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide

C20H24N2O3 — CID 2709764

IUPACN-[(2S)-1-(3-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
SMILESCOc1cccc(NC(=O)[C@@H](NC(=O)c2ccc(C)cc2)C(C)C)c1
InChIInChI=1S/C20H24N2O3/c1-13(2)18(22-19(23)15-10-8-14(3)9-11-15)20(24)21-16-6-5-7-17(12-16)25-4/h5-13,18H,1-4H3,(H,21,24)(H,22,23)/t18-/m0/s1
InChIKeyBQSVDIZTHZLQFU-SFHVURJKSA-N
MW340.42 g/mol
LogP3.40
Rot. Bonds6

About N-[(2S)-1-(3-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide

N-[(2S)-1-(3-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide (PubChem CID 2709764) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[(2S)-1-(3-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(2S)-1-(3-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
PubChem CID2709764
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-[(2S)-1-(3-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
SMILESCOc1cccc(NC(=O)[C@@H](NC(=O)c2ccc(C)cc2)C(C)C)c1
InChIInChI=1S/C20H24N2O3/c1-13(2)18(22-19(23)15-10-8-14(3)9-11-15)20(24)21-16-6-5-7-17(12-16)25-4/h5-13,18H,1-4H3,(H,21,24)(H,22,23)/t18-/m0/s1
InChIKeyBQSVDIZTHZLQFU-SFHVURJKSA-N
XLogP3.40
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-iodoanilino)-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 112789190
N-[(2S)-1-(3-bromoanilino)-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 9138331
N-[1-[3-(dimethylsulfamoyl)anilino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 55343497
4-[[2-[(4-methoxybenzoyl)amino]-3-methylbutanoyl]amino]-N-(4-methoxyphenyl)benzamide
CID 55342319
4-methoxy-N-[3-methyl-1-[3-(1-methyltetrazol-5-yl)anilino]-1-oxobutan-2-yl]benzamide
CID 46700138
N-[1-(3,4-difluoroanilino)-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 42909230
N-[(3-methoxyphenyl)carbamothioyl]-4-methylbenzamide
CID 801924
4-[(3-methoxyphenyl)carbamoylamino]-N-propan-2-ylbenzamide
CID 17180581
(2S)-2-cyano-N-(3-methoxyphenyl)-3-(4-methylphenyl)-3-oxopropanamide
CID 98449975
2-cyano-N-(3-methoxyphenyl)-3-(4-methylphenyl)-3-oxopropanamide
CID 51086382
4-methyl-N-(3-propan-2-yloxyphenyl)benzamide
CID 2989293
[2-(3-methoxyanilino)-2-oxoethyl] (2R)-2-benzamido-3-methylbutanoate
CID 2582854

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(3-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide?
The IUPAC name of N-[(2S)-1-(3-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide (CID 2709764) is N-[(2S)-1-(3-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide.
What is the SMILES notation for N-[(2S)-1-(3-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide?
The canonical SMILES for N-[(2S)-1-(3-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide is COc1cccc(NC(=O)[C@@H](NC(=O)c2ccc(C)cc2)C(C)C)c1.
What is the InChIKey of N-[(2S)-1-(3-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide?
The InChIKey is BQSVDIZTHZLQFU-SFHVURJKSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-13(2)18(22-19(23)15-10-8-14(3)9-11-15)20(24)21-16-6-5-7-17(12-16)25-4/h5-13,18H,1-4H3,(H,21,24)(H,22,23)/t18-/m0/s1.
What are the key properties of N-[(2S)-1-(3-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide?
N-[(2S)-1-(3-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide has a molecular weight of 340.42 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(3-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide is sourced from PubChem (CID 2709764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).