N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2,4,5-trimethylbenzamide

C21H26N2O2 — CID 100708807

IUPACN-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2,4,5-trimethylbenzamide
SMILESCC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1cc(C)c(C)cc1C
InChIInChI=1S/C21H26N2O2/c1-6-16(5)22-20(24)17-9-7-8-10-19(17)23-21(25)18-12-14(3)13(2)11-15(18)4/h7-12,16H,6H2,1-5H3,(H,22,24)(H,23,25)/t16-/m1/s1
InChIKeyPYANQVKPBLIUMU-MRXNPFEDSA-N
MW338.45 g/mol
LogP4.39
Rot. Bonds5

About N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2,4,5-trimethylbenzamide

N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2,4,5-trimethylbenzamide (PubChem CID 100708807) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2,4,5-trimethylbenzamide.

Molecular Properties

Compound NameN-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2,4,5-trimethylbenzamide
PubChem CID100708807
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2,4,5-trimethylbenzamide
SMILESCC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1cc(C)c(C)cc1C
InChIInChI=1S/C21H26N2O2/c1-6-16(5)22-20(24)17-9-7-8-10-19(17)23-21(25)18-12-14(3)13(2)11-15(18)4/h7-12,16H,6H2,1-5H3,(H,22,24)(H,23,25)/t16-/m1/s1
InChIKeyPYANQVKPBLIUMU-MRXNPFEDSA-N
XLogP4.39
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2,4-dimethylbenzamide
CID 34734992
N-[(2R)-butan-2-yl]-2-[(4-methylbenzoyl)amino]benzamide
CID 893770
N-butan-2-yl-2-[(4-methylbenzoyl)amino]benzamide
CID 2942993
N-[(2S)-butan-2-yl]-2-[(2-iodobenzoyl)amino]benzamide
CID 26244706
N-butan-2-yl-2-[(2-methoxybenzoyl)amino]benzamide
CID 3936748
N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-2-chloro-4-methylbenzamide
CID 100520474
N-butan-2-yl-2-[(4-fluorobenzoyl)amino]benzamide
CID 2943228
N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-4-methyl-3-nitrobenzamide
CID 40820702
N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2,3-dimethoxybenzamide
CID 95903703
N-butan-2-yl-2-[3-(3,4-dimethylphenyl)propanoylamino]benzamide
CID 133235466
N-butan-2-yl-2-[(2-propoxybenzoyl)amino]benzamide
CID 17151255
N-[(2R)-butan-2-yl]-2-[(3-fluorobenzoyl)amino]benzamide
CID 26706214

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2,4,5-trimethylbenzamide?
The IUPAC name of N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2,4,5-trimethylbenzamide (CID 100708807) is N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2,4,5-trimethylbenzamide.
What is the SMILES notation for N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2,4,5-trimethylbenzamide?
The canonical SMILES for N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2,4,5-trimethylbenzamide is CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1cc(C)c(C)cc1C.
What is the InChIKey of N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2,4,5-trimethylbenzamide?
The InChIKey is PYANQVKPBLIUMU-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-6-16(5)22-20(24)17-9-7-8-10-19(17)23-21(25)18-12-14(3)13(2)11-15(18)4/h7-12,16H,6H2,1-5H3,(H,22,24)(H,23,25)/t16-/m1/s1.
What are the key properties of N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2,4,5-trimethylbenzamide?
N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2,4,5-trimethylbenzamide has a molecular weight of 338.45 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2,4,5-trimethylbenzamide is sourced from PubChem (CID 100708807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).