N-(1-amino-2,3-dimethyl-1-oxobutan-2-yl)-4-(3-methoxybenzoyl)benzamide

C21H24N2O4 — CID 166198718

IUPACN-(1-amino-2,3-dimethyl-1-oxobutan-2-yl)-4-(3-methoxybenzoyl)benzamide
SMILESCOc1cccc(C(=O)c2ccc(C(=O)NC(C)(C(N)=O)C(C)C)cc2)c1
InChIInChI=1S/C21H24N2O4/c1-13(2)21(3,20(22)26)23-19(25)15-10-8-14(9-11-15)18(24)16-6-5-7-17(12-16)27-4/h5-13H,1-4H3,(H2,22,26)(H,23,25)
InChIKeyVSZQVDNHMVILLX-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.56
Rot. Bonds7

About N-(1-amino-2,3-dimethyl-1-oxobutan-2-yl)-4-(3-methoxybenzoyl)benzamide

N-(1-amino-2,3-dimethyl-1-oxobutan-2-yl)-4-(3-methoxybenzoyl)benzamide (PubChem CID 166198718) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethyl-1-oxobutan-2-yl)-4-(3-methoxybenzoyl)benzamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethyl-1-oxobutan-2-yl)-4-(3-methoxybenzoyl)benzamide
PubChem CID166198718
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC NameN-(1-amino-2,3-dimethyl-1-oxobutan-2-yl)-4-(3-methoxybenzoyl)benzamide
SMILESCOc1cccc(C(=O)c2ccc(C(=O)NC(C)(C(N)=O)C(C)C)cc2)c1
InChIInChI=1S/C21H24N2O4/c1-13(2)21(3,20(22)26)23-19(25)15-10-8-14(9-11-15)18(24)16-6-5-7-17(12-16)27-4/h5-13H,1-4H3,(H2,22,26)(H,23,25)
InChIKeyVSZQVDNHMVILLX-UHFFFAOYSA-N
XLogP2.56
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxyanilino)-2,3-dimethylbutanamide
CID 54892227
N-[(2R)-2-cyano-3-methylbutan-2-yl]-3-methoxybenzamide
CID 39963760
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-3-methoxybenzamide
CID 61120038
(4-bromophenyl)-(3-methoxyphenyl)methanone
CID 2757032
methyl 2-[3-(3-methoxybenzoyl)phenyl]propanoate
CID 10590178
sodium;(3-methoxyphenyl)-phenylmethanone;hydroxide
CID 18779399
3-methoxy-N-(2-methylbutan-2-yl)benzamide
CID 5204623
N'-(4-aminobenzoyl)-3-methoxybenzohydrazide
CID 684303
(3-methoxyphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 43159799
tert-butyl N-[(1E,2R)-1-hydroxyimino-1-(3-methoxyphenyl)propan-2-yl]carbamate
CID 90091374
2-amino-1-(3-methoxyphenyl)-3,3-dimethylbutan-1-one
CID 116611446
2-(3-methoxyphenyl)-2-oxoacetamide
CID 116924501

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethyl-1-oxobutan-2-yl)-4-(3-methoxybenzoyl)benzamide?
The IUPAC name of N-(1-amino-2,3-dimethyl-1-oxobutan-2-yl)-4-(3-methoxybenzoyl)benzamide (CID 166198718) is N-(1-amino-2,3-dimethyl-1-oxobutan-2-yl)-4-(3-methoxybenzoyl)benzamide.
What is the SMILES notation for N-(1-amino-2,3-dimethyl-1-oxobutan-2-yl)-4-(3-methoxybenzoyl)benzamide?
The canonical SMILES for N-(1-amino-2,3-dimethyl-1-oxobutan-2-yl)-4-(3-methoxybenzoyl)benzamide is COc1cccc(C(=O)c2ccc(C(=O)NC(C)(C(N)=O)C(C)C)cc2)c1.
What is the InChIKey of N-(1-amino-2,3-dimethyl-1-oxobutan-2-yl)-4-(3-methoxybenzoyl)benzamide?
The InChIKey is VSZQVDNHMVILLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-13(2)21(3,20(22)26)23-19(25)15-10-8-14(9-11-15)18(24)16-6-5-7-17(12-16)27-4/h5-13H,1-4H3,(H2,22,26)(H,23,25).
What are the key properties of N-(1-amino-2,3-dimethyl-1-oxobutan-2-yl)-4-(3-methoxybenzoyl)benzamide?
N-(1-amino-2,3-dimethyl-1-oxobutan-2-yl)-4-(3-methoxybenzoyl)benzamide has a molecular weight of 368.43 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethyl-1-oxobutan-2-yl)-4-(3-methoxybenzoyl)benzamide is sourced from PubChem (CID 166198718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).