N-benzyl-N-methyl-2-(2-methylpropanoylamino)benzamide

C19H22N2O2 — CID 30336748

IUPACN-benzyl-N-methyl-2-(2-methylpropanoylamino)benzamide
SMILESCC(C)C(=O)Nc1ccccc1C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C19H22N2O2/c1-14(2)18(22)20-17-12-8-7-11-16(17)19(23)21(3)13-15-9-5-4-6-10-15/h4-12,14H,13H2,1-3H3,(H,20,22)
InChIKeyICFYLTYRTUFAOD-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.55
Rot. Bonds5

About N-benzyl-N-methyl-2-(2-methylpropanoylamino)benzamide

N-benzyl-N-methyl-2-(2-methylpropanoylamino)benzamide (PubChem CID 30336748) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-(2-methylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-(2-methylpropanoylamino)benzamide
PubChem CID30336748
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-benzyl-N-methyl-2-(2-methylpropanoylamino)benzamide
SMILESCC(C)C(=O)Nc1ccccc1C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C19H22N2O2/c1-14(2)18(22)20-17-12-8-7-11-16(17)19(23)21(3)13-15-9-5-4-6-10-15/h4-12,14H,13H2,1-3H3,(H,20,22)
InChIKeyICFYLTYRTUFAOD-UHFFFAOYSA-N
XLogP3.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-methyl-2-(2-phenylbutanoylamino)benzamide
CID 17311793
N-benzyl-2-(3,3-diphenylpropanoylamino)-N-methylbenzamide
CID 17311665
N-benzyl-2-[(2-methoxyacetyl)amino]-N-methylbenzamide
CID 17311924
N-benzyl-2-[3-(2-chlorophenyl)propanoylamino]-N-methylbenzamide
CID 17179013
N-[2-[benzyl(methyl)carbamoyl]phenyl]naphthalene-1-carboxamide
CID 30337138
N-benzyl-N-methyl-2-[[2-(2-methylphenyl)acetyl]carbamothioylamino]benzamide
CID 26163913
N-benzyl-N-methyl-2-[2-(4-nitrophenoxy)propanoylamino]benzamide
CID 4951315
N-benzyl-2-[(4-tert-butylbenzoyl)amino]-N-methylbenzamide
CID 4937393
N-benzyl-N-methyl-2-(propanoylcarbamothioylamino)benzamide
CID 4937547
2-benzamido-N-[(4-bromophenyl)methyl]-N-methylbenzamide
CID 32892148
N-[(4-ethoxyphenyl)methyl]-N-methyl-2-(propan-2-ylcarbamoylamino)benzamide
CID 134025192
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(propan-2-ylcarbamoylamino)benzamide
CID 51255380

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-(2-methylpropanoylamino)benzamide?
The IUPAC name of N-benzyl-N-methyl-2-(2-methylpropanoylamino)benzamide (CID 30336748) is N-benzyl-N-methyl-2-(2-methylpropanoylamino)benzamide.
What is the SMILES notation for N-benzyl-N-methyl-2-(2-methylpropanoylamino)benzamide?
The canonical SMILES for N-benzyl-N-methyl-2-(2-methylpropanoylamino)benzamide is CC(C)C(=O)Nc1ccccc1C(=O)N(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-methyl-2-(2-methylpropanoylamino)benzamide?
The InChIKey is ICFYLTYRTUFAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-14(2)18(22)20-17-12-8-7-11-16(17)19(23)21(3)13-15-9-5-4-6-10-15/h4-12,14H,13H2,1-3H3,(H,20,22).
What are the key properties of N-benzyl-N-methyl-2-(2-methylpropanoylamino)benzamide?
N-benzyl-N-methyl-2-(2-methylpropanoylamino)benzamide has a molecular weight of 310.40 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-(2-methylpropanoylamino)benzamide is sourced from PubChem (CID 30336748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).