N-[3-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2-methylbenzamide

C19H22N2O2 — CID 42427396

IUPACN-[3-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2-methylbenzamide
SMILESCC[C@@H](C)NC(=O)c1cccc(NC(=O)c2ccccc2C)c1
InChIInChI=1S/C19H22N2O2/c1-4-14(3)20-18(22)15-9-7-10-16(12-15)21-19(23)17-11-6-5-8-13(17)2/h5-12,14H,4H2,1-3H3,(H,20,22)(H,21,23)/t14-/m1/s1
InChIKeyAASKLFAHUZLDDL-CQSZACIVSA-N
MW310.40 g/mol
LogP3.78
Rot. Bonds5

About N-[3-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2-methylbenzamide

N-[3-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2-methylbenzamide (PubChem CID 42427396) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[3-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[3-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2-methylbenzamide
PubChem CID42427396
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-[3-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2-methylbenzamide
SMILESCC[C@@H](C)NC(=O)c1cccc(NC(=O)c2ccccc2C)c1
InChIInChI=1S/C19H22N2O2/c1-4-14(3)20-18(22)15-9-7-10-16(12-15)21-19(23)17-11-6-5-8-13(17)2/h5-12,14H,4H2,1-3H3,(H,20,22)(H,21,23)/t14-/m1/s1
InChIKeyAASKLFAHUZLDDL-CQSZACIVSA-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

2-methyl-N-[3-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 17197346
N-[3-(butan-2-ylcarbamoyl)phenyl]-2-ethoxybenzamide
CID 17198857
N-[(2S)-butan-2-yl]-3-[(4-methylbenzoyl)amino]benzamide
CID 42427411
N-[(2R)-butan-2-yl]-3-[(3-chlorobenzoyl)amino]benzamide
CID 42427435
1-N-(3-acetylphenyl)-4-N-butan-2-ylbenzene-1,4-dicarboxamide
CID 109044154
N-[3-(butan-2-ylcarbamoyl)phenyl]-3,5-dichlorobenzamide
CID 17198935
3-N-butan-2-yl-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide
CID 109051512
N-butan-2-yl-3-[[2-(1-phenylethylamino)acetyl]amino]benzamide
CID 54814951
N-[[3-(butan-2-ylcarbamoyl)phenyl]carbamothioyl]-2-fluorobenzamide
CID 17199235
N-[[3-(butan-2-ylcarbamoyl)phenyl]carbamothioyl]-2-iodobenzamide
CID 17199167
methyl 3-[[4-(butan-2-ylcarbamoyl)benzoyl]amino]benzoate
CID 109044159
2-methyl-N-[3-(pentan-2-ylamino)phenyl]benzamide
CID 154320890

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2-methylbenzamide?
The IUPAC name of N-[3-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2-methylbenzamide (CID 42427396) is N-[3-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2-methylbenzamide.
What is the SMILES notation for N-[3-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2-methylbenzamide?
The canonical SMILES for N-[3-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2-methylbenzamide is CC[C@@H](C)NC(=O)c1cccc(NC(=O)c2ccccc2C)c1.
What is the InChIKey of N-[3-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2-methylbenzamide?
The InChIKey is AASKLFAHUZLDDL-CQSZACIVSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-4-14(3)20-18(22)15-9-7-10-16(12-15)21-19(23)17-11-6-5-8-13(17)2/h5-12,14H,4H2,1-3H3,(H,20,22)(H,21,23)/t14-/m1/s1.
What are the key properties of N-[3-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2-methylbenzamide?
N-[3-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2-methylbenzamide 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 N-[3-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2-methylbenzamide is sourced from PubChem (CID 42427396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).