N-(1-amino-3-methyl-1-oxobutan-2-yl)-3-methyl-4-(methylamino)benzamide

C14H21N3O2 — CID 106347135

IUPACN-(1-amino-3-methyl-1-oxobutan-2-yl)-3-methyl-4-(methylamino)benzamide
SMILESCNc1ccc(C(=O)NC(C(N)=O)C(C)C)cc1C
InChIInChI=1S/C14H21N3O2/c1-8(2)12(13(15)18)17-14(19)10-5-6-11(16-4)9(3)7-10/h5-8,12,16H,1-4H3,(H2,15,18)(H,17,19)
InChIKeyOFZYPKFCDKANKV-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.28
Rot. Bonds5

About N-(1-amino-3-methyl-1-oxobutan-2-yl)-3-methyl-4-(methylamino)benzamide

N-(1-amino-3-methyl-1-oxobutan-2-yl)-3-methyl-4-(methylamino)benzamide (PubChem CID 106347135) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(1-amino-3-methyl-1-oxobutan-2-yl)-3-methyl-4-(methylamino)benzamide.

Molecular Properties

Compound NameN-(1-amino-3-methyl-1-oxobutan-2-yl)-3-methyl-4-(methylamino)benzamide
PubChem CID106347135
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-(1-amino-3-methyl-1-oxobutan-2-yl)-3-methyl-4-(methylamino)benzamide
SMILESCNc1ccc(C(=O)NC(C(N)=O)C(C)C)cc1C
InChIInChI=1S/C14H21N3O2/c1-8(2)12(13(15)18)17-14(19)10-5-6-11(16-4)9(3)7-10/h5-8,12,16H,1-4H3,(H2,15,18)(H,17,19)
InChIKeyOFZYPKFCDKANKV-UHFFFAOYSA-N
XLogP1.28
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-3-methylbenzamide
CID 113268975
3-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-4-methylbenzamide
CID 113266675
N-(1-cyclopropylethyl)-3-methyl-4-(methylamino)benzamide
CID 63210093
N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-4-bromo-3-chlorobenzamide
CID 124589162
3-methyl-4-(methylamino)-N-(1-thiophen-2-ylethyl)benzamide
CID 63210486
(2S)-2-[(3,4-dimethylbenzoyl)amino]-3-methylbutanoic acid
CID 42255568
N-(1-cyclopropylbutan-2-yl)-3-methyl-4-(methylamino)benzamide
CID 63994419
N-(1-amino-3-methyl-1-oxobutan-2-yl)pyridine-4-carboxamide
CID 77389901
methyl 2-[(4-chloro-3-methylbenzoyl)amino]-3-methylbutanoate
CID 113256400
3-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-5-fluoro-4-methylbenzamide
CID 106343679
2-[(4-fluoro-3-methylbenzoyl)amino]-3-methylbutanoic acid
CID 63210063
2-[[3-methyl-4-(methylamino)benzoyl]amino]ethyl carbamate
CID 83214863

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methyl-1-oxobutan-2-yl)-3-methyl-4-(methylamino)benzamide?
The IUPAC name of N-(1-amino-3-methyl-1-oxobutan-2-yl)-3-methyl-4-(methylamino)benzamide (CID 106347135) is N-(1-amino-3-methyl-1-oxobutan-2-yl)-3-methyl-4-(methylamino)benzamide.
What is the SMILES notation for N-(1-amino-3-methyl-1-oxobutan-2-yl)-3-methyl-4-(methylamino)benzamide?
The canonical SMILES for N-(1-amino-3-methyl-1-oxobutan-2-yl)-3-methyl-4-(methylamino)benzamide is CNc1ccc(C(=O)NC(C(N)=O)C(C)C)cc1C.
What is the InChIKey of N-(1-amino-3-methyl-1-oxobutan-2-yl)-3-methyl-4-(methylamino)benzamide?
The InChIKey is OFZYPKFCDKANKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-8(2)12(13(15)18)17-14(19)10-5-6-11(16-4)9(3)7-10/h5-8,12,16H,1-4H3,(H2,15,18)(H,17,19).
What are the key properties of N-(1-amino-3-methyl-1-oxobutan-2-yl)-3-methyl-4-(methylamino)benzamide?
N-(1-amino-3-methyl-1-oxobutan-2-yl)-3-methyl-4-(methylamino)benzamide has a molecular weight of 263.34 g/mol, XLogP of 1.28, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-methyl-1-oxobutan-2-yl)-3-methyl-4-(methylamino)benzamide is sourced from PubChem (CID 106347135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).