N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide

C16H24N2O2 — CID 47101431

IUPACN-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC(CC(C)C)C(=O)N(C)C
InChIInChI=1S/C16H24N2O2/c1-11(2)10-14(16(20)18(4)5)17-15(19)13-9-7-6-8-12(13)3/h6-9,11,14H,10H2,1-5H3,(H,17,19)
InChIKeyQFMCMWSQYYUPCD-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.23
Rot. Bonds5

About N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide

N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide (PubChem CID 47101431) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
PubChem CID47101431
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC(CC(C)C)C(=O)N(C)C
InChIInChI=1S/C16H24N2O2/c1-11(2)10-14(16(20)18(4)5)17-15(19)13-9-7-6-8-12(13)3/h6-9,11,14H,10H2,1-5H3,(H,17,19)
InChIKeyQFMCMWSQYYUPCD-UHFFFAOYSA-N
XLogP2.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-2-(methylamino)benzamide
CID 61376513
N-[1-[(4-bromophenyl)methyl-methylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 55328947
2-methyl-N-[4-methyl-1-(5-methylhexan-2-ylamino)-1-oxopentan-2-yl]benzamide
CID 112789345
(3S)-3-[[(2S)-4-methyl-2-[(2-methylbenzoyl)amino]pentanoyl]amino]butanoic acid
CID 97072625
2-methyl-N-[4-methyl-1-oxo-1-(1,2,4-triazol-4-ylamino)pentan-2-yl]benzamide
CID 75413015
2-methyl-N-[(2R)-4-methyl-1-oxo-1-(2-phenylsulfanylethylamino)pentan-2-yl]benzamide
CID 9482953
2-methyl-N-[4-methyl-1-[3-[methyl(methylsulfonyl)amino]propylamino]-1-oxopentan-2-yl]benzamide
CID 46434255
2-methyl-N-[(2S)-4-methyl-1-(2-methylsulfanylanilino)-1-oxopentan-2-yl]benzamide
CID 41013790
N-[(2R)-1-[2-(2-fluorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 9402546
N-[(2S)-1-[4-(diethylamino)anilino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 2438696
4-amino-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-3-methylbenzamide
CID 43699933
N-[(2R)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 26002664

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide?
The IUPAC name of N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide (CID 47101431) is N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide.
What is the SMILES notation for N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide?
The canonical SMILES for N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide is Cc1ccccc1C(=O)NC(CC(C)C)C(=O)N(C)C.
What is the InChIKey of N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide?
The InChIKey is QFMCMWSQYYUPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11(2)10-14(16(20)18(4)5)17-15(19)13-9-7-6-8-12(13)3/h6-9,11,14H,10H2,1-5H3,(H,17,19).
What are the key properties of N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide?
N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide has a molecular weight of 276.38 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide is sourced from PubChem (CID 47101431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).