3-N-butan-2-yl-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide

C19H22N2O2 — CID 109051512

IUPAC3-N-butan-2-yl-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide
SMILESCCC(C)NC(=O)c1cccc(C(=O)Nc2ccccc2C)c1
InChIInChI=1S/C19H22N2O2/c1-4-14(3)20-18(22)15-9-7-10-16(12-15)19(23)21-17-11-6-5-8-13(17)2/h5-12,14H,4H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyZADJZIXWETYGLC-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.78
Rot. Bonds5

About 3-N-butan-2-yl-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide

3-N-butan-2-yl-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide (PubChem CID 109051512) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 3-N-butan-2-yl-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-butan-2-yl-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide
PubChem CID109051512
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name3-N-butan-2-yl-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide
SMILESCCC(C)NC(=O)c1cccc(C(=O)Nc2ccccc2C)c1
InChIInChI=1S/C19H22N2O2/c1-4-14(3)20-18(22)15-9-7-10-16(12-15)19(23)21-17-11-6-5-8-13(17)2/h5-12,14H,4H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyZADJZIXWETYGLC-UHFFFAOYSA-N
XLogP3.78
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-butan-2-yl-1-N-(2-fluorophenyl)benzene-1,3-dicarboxamide
CID 109051535
2-N-butan-2-yl-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109080207
3-N-butan-2-yl-1-N-(2-ethoxyphenyl)benzene-1,3-dicarboxamide
CID 109051553
3-N-butan-2-yl-1-N-(2-ethyl-6-methylphenyl)benzene-1,3-dicarboxamide
CID 109051527
3-N-(2,3-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide
CID 109056848
N-[3-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2-methylbenzamide
CID 42427396
N-[(2R)-butan-2-yl]-2-[(3-fluorobenzoyl)amino]benzamide
CID 26706214
1-N-butan-2-yl-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 109051451
1-N-(2,3-dimethylphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109050570
3-N-butan-2-yl-1-N-(4-ethylphenyl)benzene-1,3-dicarboxamide
CID 109051525
N-butan-2-yl-2-[(3-methoxybenzoyl)amino]benzamide
CID 17417921
N-[(2S)-butan-2-yl]-3-[(4-methylbenzoyl)amino]benzamide
CID 42427411

Frequently Asked Questions

What is the IUPAC name of 3-N-butan-2-yl-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-butan-2-yl-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide (CID 109051512) is 3-N-butan-2-yl-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-butan-2-yl-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-butan-2-yl-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide is CCC(C)NC(=O)c1cccc(C(=O)Nc2ccccc2C)c1.
What is the InChIKey of 3-N-butan-2-yl-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide?
The InChIKey is ZADJZIXWETYGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-4-14(3)20-18(22)15-9-7-10-16(12-15)19(23)21-17-11-6-5-8-13(17)2/h5-12,14H,4H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of 3-N-butan-2-yl-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide?
3-N-butan-2-yl-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide has a molecular weight of 310.40 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-butan-2-yl-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109051512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).