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

C16H25N3O2 — CID 61376513

IUPACN-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-2-(methylamino)benzamide
SMILESCNc1ccccc1C(=O)NC(CC(C)C)C(=O)N(C)C
InChIInChI=1S/C16H25N3O2/c1-11(2)10-14(16(21)19(4)5)18-15(20)12-8-6-7-9-13(12)17-3/h6-9,11,14,17H,10H2,1-5H3,(H,18,20)
InChIKeyGZLHDYWNBAWWBV-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.96
Rot. Bonds6

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

N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-2-(methylamino)benzamide (PubChem CID 61376513) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-2-(methylamino)benzamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-2-(methylamino)benzamide
PubChem CID61376513
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-2-(methylamino)benzamide
SMILESCNc1ccccc1C(=O)NC(CC(C)C)C(=O)N(C)C
InChIInChI=1S/C16H25N3O2/c1-11(2)10-14(16(21)19(4)5)18-15(20)12-8-6-7-9-13(12)17-3/h6-9,11,14,17H,10H2,1-5H3,(H,18,20)
InChIKeyGZLHDYWNBAWWBV-UHFFFAOYSA-N
XLogP1.96
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 47101431
N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(methylamino)benzamide
CID 61376334
2-bromo-4-chloro-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 103763940
2-[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]benzoic acid
CID 60940712
4-(aminomethyl)-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 43699907
2-iodo-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide
CID 60776174
N-[1-(dimethylamino)-1-oxopropan-2-yl]-2-(propylamino)benzamide
CID 63107753
2,5-dichloro-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide
CID 114917725
2-chloro-N-[(2R)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide
CID 51891718
2-(methylamino)-N-(4-methylpentyl)benzamide
CID 61377674
2-bromo-N-[(2R)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 163212007
N-[1-[(4-bromophenyl)methyl-methylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 55328947

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-2-(methylamino)benzamide?
The IUPAC name of N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-2-(methylamino)benzamide (CID 61376513) is N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-2-(methylamino)benzamide.
What is the SMILES notation for N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-2-(methylamino)benzamide?
The canonical SMILES for N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-2-(methylamino)benzamide is CNc1ccccc1C(=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-(methylamino)benzamide?
The InChIKey is GZLHDYWNBAWWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-11(2)10-14(16(21)19(4)5)18-15(20)12-8-6-7-9-13(12)17-3/h6-9,11,14,17H,10H2,1-5H3,(H,18,20).
What are the key properties of N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-2-(methylamino)benzamide?
N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-2-(methylamino)benzamide has a molecular weight of 291.39 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-2-(methylamino)benzamide is sourced from PubChem (CID 61376513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).