N,N,2-trimethyl-4-[[2-(2-methylpropyl)benzoyl]amino]benzamide

C21H26N2O2 — CID 119047666

IUPACN,N,2-trimethyl-4-[[2-(2-methylpropyl)benzoyl]amino]benzamide
SMILESCc1cc(NC(=O)c2ccccc2CC(C)C)ccc1C(=O)N(C)C
InChIInChI=1S/C21H26N2O2/c1-14(2)12-16-8-6-7-9-19(16)20(24)22-17-10-11-18(15(3)13-17)21(25)23(4)5/h6-11,13-14H,12H2,1-5H3,(H,22,24)
InChIKeyIZTVIRCFMIPUNS-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.15
Rot. Bonds5

About N,N,2-trimethyl-4-[[2-(2-methylpropyl)benzoyl]amino]benzamide

N,N,2-trimethyl-4-[[2-(2-methylpropyl)benzoyl]amino]benzamide (PubChem CID 119047666) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N,N,2-trimethyl-4-[[2-(2-methylpropyl)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN,N,2-trimethyl-4-[[2-(2-methylpropyl)benzoyl]amino]benzamide
PubChem CID119047666
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN,N,2-trimethyl-4-[[2-(2-methylpropyl)benzoyl]amino]benzamide
SMILESCc1cc(NC(=O)c2ccccc2CC(C)C)ccc1C(=O)N(C)C
InChIInChI=1S/C21H26N2O2/c1-14(2)12-16-8-6-7-9-19(16)20(24)22-17-10-11-18(15(3)13-17)21(25)23(4)5/h6-11,13-14H,12H2,1-5H3,(H,22,24)
InChIKeyIZTVIRCFMIPUNS-UHFFFAOYSA-N
XLogP4.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[acetyl(methyl)amino]phenyl]-2-(2-methylpropyl)benzamide
CID 119047722
4-acetamido-N,N,2-trimethylbenzamide
CID 21338871
N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-2-(2-methylpropyl)benzamide
CID 119047123
4-(4-aminopentanoylamino)-N,N,2-trimethylbenzamide
CID 120563222
4-[(2-aminoacetyl)amino]-N,N,2-trimethylbenzamide
CID 119332625
4-[3-(2-aminophenyl)propanoylamino]-N,N,2-trimethylbenzamide;hydrochloride
CID 120611177
5-[4-(dimethylcarbamoyl)-3-methylanilino]-3,3-dimethyl-5-oxopentanoic acid
CID 119137875
4-(4-aminobutanoylamino)-N,N,2-trimethylbenzamide
CID 119332645
2-[(2R)-2-amino-3-hydroxypropyl]-N,N-dimethylbenzamide
CID 18660310
4-[(1-aminocyclopentanecarbonyl)amino]-N,N,2-trimethylbenzamide
CID 119332635
2-methyl-N-[3-methyl-4-[2-methyl-4-[(2-methylbenzoyl)amino]phenyl]phenyl]benzamide
CID 23908248
2-ethyl-N-(4-methylphenyl)benzamide
CID 20613365

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-4-[[2-(2-methylpropyl)benzoyl]amino]benzamide?
The IUPAC name of N,N,2-trimethyl-4-[[2-(2-methylpropyl)benzoyl]amino]benzamide (CID 119047666) is N,N,2-trimethyl-4-[[2-(2-methylpropyl)benzoyl]amino]benzamide.
What is the SMILES notation for N,N,2-trimethyl-4-[[2-(2-methylpropyl)benzoyl]amino]benzamide?
The canonical SMILES for N,N,2-trimethyl-4-[[2-(2-methylpropyl)benzoyl]amino]benzamide is Cc1cc(NC(=O)c2ccccc2CC(C)C)ccc1C(=O)N(C)C.
What is the InChIKey of N,N,2-trimethyl-4-[[2-(2-methylpropyl)benzoyl]amino]benzamide?
The InChIKey is IZTVIRCFMIPUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-14(2)12-16-8-6-7-9-19(16)20(24)22-17-10-11-18(15(3)13-17)21(25)23(4)5/h6-11,13-14H,12H2,1-5H3,(H,22,24).
What are the key properties of N,N,2-trimethyl-4-[[2-(2-methylpropyl)benzoyl]amino]benzamide?
N,N,2-trimethyl-4-[[2-(2-methylpropyl)benzoyl]amino]benzamide has a molecular weight of 338.45 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-4-[[2-(2-methylpropyl)benzoyl]amino]benzamide is sourced from PubChem (CID 119047666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).