N-[(2S)-1-amino-2,3-dimethyl-1-oxobutan-2-yl]-4-methoxybenzamide

C14H20N2O3 — CID 7057020

IUPACN-[(2S)-1-amino-2,3-dimethyl-1-oxobutan-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N[C@](C)(C(N)=O)C(C)C)cc1
InChIInChI=1S/C14H20N2O3/c1-9(2)14(3,13(15)18)16-12(17)10-5-7-11(19-4)8-6-10/h5-9H,1-4H3,(H2,15,18)(H,16,17)/t14-/m0/s1
InChIKeyLANKEUZRNWLGIX-AWEZNQCLSA-N
MW264.32 g/mol
LogP1.33
Rot. Bonds5

About N-[(2S)-1-amino-2,3-dimethyl-1-oxobutan-2-yl]-4-methoxybenzamide

N-[(2S)-1-amino-2,3-dimethyl-1-oxobutan-2-yl]-4-methoxybenzamide (PubChem CID 7057020) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-[(2S)-1-amino-2,3-dimethyl-1-oxobutan-2-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-2,3-dimethyl-1-oxobutan-2-yl]-4-methoxybenzamide
PubChem CID7057020
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-[(2S)-1-amino-2,3-dimethyl-1-oxobutan-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N[C@](C)(C(N)=O)C(C)C)cc1
InChIInChI=1S/C14H20N2O3/c1-9(2)14(3,13(15)18)16-12(17)10-5-7-11(19-4)8-6-10/h5-9H,1-4H3,(H2,15,18)(H,16,17)/t14-/m0/s1
InChIKeyLANKEUZRNWLGIX-AWEZNQCLSA-N
XLogP1.33
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2,3-dimethyl-1-oxobutan-2-yl)-4-(3-methoxybenzoyl)benzamide
CID 166198718
N-[2-(4-methoxyphenyl)propan-2-yl]-4-(2-methylpropoxy)benzamide
CID 110440877
4-N-tert-butyl-1-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 48845743
tert-butyl (NZ)-N-[amino-(4-methoxyphenyl)methylidene]carbamate
CID 82480855
tert-butyl N-(4-methoxybenzoyl)carbamate
CID 14221825
N-(1-amino-2,3-dimethyl-1-oxobutan-2-yl)-5-(trifluoromethoxy)pyridine-2-carboxamide
CID 19860744
N-(1-hydroxy-2-methylbutan-2-yl)-4-methoxybenzamide
CID 64557752
2-(3-methoxyanilino)-2,3-dimethylbutanamide
CID 54892227
N-carbamothioyl-4-methoxybenzamide
CID 14007083
methyl 3-hydroxy-3-(4-methoxyphenyl)-2-propan-2-ylbutanoate
CID 62395794
1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 2211003
tert-butyl 2-[(4-methoxybenzoyl)amino]acetate
CID 135045716

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-2,3-dimethyl-1-oxobutan-2-yl]-4-methoxybenzamide?
The IUPAC name of N-[(2S)-1-amino-2,3-dimethyl-1-oxobutan-2-yl]-4-methoxybenzamide (CID 7057020) is N-[(2S)-1-amino-2,3-dimethyl-1-oxobutan-2-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[(2S)-1-amino-2,3-dimethyl-1-oxobutan-2-yl]-4-methoxybenzamide?
The canonical SMILES for N-[(2S)-1-amino-2,3-dimethyl-1-oxobutan-2-yl]-4-methoxybenzamide is COc1ccc(C(=O)N[C@](C)(C(N)=O)C(C)C)cc1.
What is the InChIKey of N-[(2S)-1-amino-2,3-dimethyl-1-oxobutan-2-yl]-4-methoxybenzamide?
The InChIKey is LANKEUZRNWLGIX-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9(2)14(3,13(15)18)16-12(17)10-5-7-11(19-4)8-6-10/h5-9H,1-4H3,(H2,15,18)(H,16,17)/t14-/m0/s1.
What are the key properties of N-[(2S)-1-amino-2,3-dimethyl-1-oxobutan-2-yl]-4-methoxybenzamide?
N-[(2S)-1-amino-2,3-dimethyl-1-oxobutan-2-yl]-4-methoxybenzamide has a molecular weight of 264.32 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-2,3-dimethyl-1-oxobutan-2-yl]-4-methoxybenzamide is sourced from PubChem (CID 7057020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).