N-[(2R)-butan-2-yl]-4-(2,2-dimethylpropanoylamino)benzamide

C16H24N2O2 — CID 42427493

IUPACN-[(2R)-butan-2-yl]-4-(2,2-dimethylpropanoylamino)benzamide
SMILESCC[C@@H](C)NC(=O)c1ccc(NC(=O)C(C)(C)C)cc1
InChIInChI=1S/C16H24N2O2/c1-6-11(2)17-14(19)12-7-9-13(10-8-12)18-15(20)16(3,4)5/h7-11H,6H2,1-5H3,(H,17,19)(H,18,20)/t11-/m1/s1
InChIKeyIZTIAFOLYBWBJS-LLVKDONJSA-N
MW276.38 g/mol
LogP3.20
Rot. Bonds4

About N-[(2R)-butan-2-yl]-4-(2,2-dimethylpropanoylamino)benzamide

N-[(2R)-butan-2-yl]-4-(2,2-dimethylpropanoylamino)benzamide (PubChem CID 42427493) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-4-(2,2-dimethylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-4-(2,2-dimethylpropanoylamino)benzamide
PubChem CID42427493
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[(2R)-butan-2-yl]-4-(2,2-dimethylpropanoylamino)benzamide
SMILESCC[C@@H](C)NC(=O)c1ccc(NC(=O)C(C)(C)C)cc1
InChIInChI=1S/C16H24N2O2/c1-6-11(2)17-14(19)12-7-9-13(10-8-12)18-15(20)16(3,4)5/h7-11H,6H2,1-5H3,(H,17,19)(H,18,20)/t11-/m1/s1
InChIKeyIZTIAFOLYBWBJS-LLVKDONJSA-N
XLogP3.20
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-acetamido-N-butan-2-ylbenzamide
CID 4540233
N-[(2R)-butan-2-yl]-4-(phenylcarbamoylamino)benzamide
CID 42427532
N,N'-bis[4-(butan-2-ylcarbamoyl)phenyl]pentanediamide
CID 17201639
N-butan-2-yl-4-(propylamino)benzamide
CID 62171300
2,2-dimethyl-N-[4-[(2S)-2-methylbutanoyl]phenyl]propanamide
CID 97135002
methyl 4-[[4-(butan-2-ylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17201378
N,N'-bis[4-(butan-2-ylcarbamoyl)phenyl]decanediamide
CID 17201350
N-butan-2-yl-4-[[2-[4-(tert-butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54834376
N-[(2S)-butan-2-yl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 42427383
1-N,4-N-bis[4-(butan-2-ylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17201637
N-butan-2-yl-4-(5-methylhexan-2-ylcarbamoylamino)benzamide
CID 60569862
(E)-4-[4-(butan-2-ylcarbamoyl)anilino]-4-oxobut-2-enoic acid
CID 17201190

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-4-(2,2-dimethylpropanoylamino)benzamide?
The IUPAC name of N-[(2R)-butan-2-yl]-4-(2,2-dimethylpropanoylamino)benzamide (CID 42427493) is N-[(2R)-butan-2-yl]-4-(2,2-dimethylpropanoylamino)benzamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-4-(2,2-dimethylpropanoylamino)benzamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-4-(2,2-dimethylpropanoylamino)benzamide is CC[C@@H](C)NC(=O)c1ccc(NC(=O)C(C)(C)C)cc1.
What is the InChIKey of N-[(2R)-butan-2-yl]-4-(2,2-dimethylpropanoylamino)benzamide?
The InChIKey is IZTIAFOLYBWBJS-LLVKDONJSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-6-11(2)17-14(19)12-7-9-13(10-8-12)18-15(20)16(3,4)5/h7-11H,6H2,1-5H3,(H,17,19)(H,18,20)/t11-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-4-(2,2-dimethylpropanoylamino)benzamide?
N-[(2R)-butan-2-yl]-4-(2,2-dimethylpropanoylamino)benzamide has a molecular weight of 276.38 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-4-(2,2-dimethylpropanoylamino)benzamide is sourced from PubChem (CID 42427493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).