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

C18H21N3O2 — CID 42427532

IUPACN-[(2R)-butan-2-yl]-4-(phenylcarbamoylamino)benzamide
SMILESCC[C@@H](C)NC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C18H21N3O2/c1-3-13(2)19-17(22)14-9-11-16(12-10-14)21-18(23)20-15-7-5-4-6-8-15/h4-13H,3H2,1-2H3,(H,19,22)(H2,20,21,23)/t13-/m1/s1
InChIKeyRWNJKZOZWFIQNF-CYBMUJFWSA-N
MW311.38 g/mol
LogP3.86
Rot. Bonds5

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

N-[(2R)-butan-2-yl]-4-(phenylcarbamoylamino)benzamide (PubChem CID 42427532) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-4-(phenylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-4-(phenylcarbamoylamino)benzamide
PubChem CID42427532
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC NameN-[(2R)-butan-2-yl]-4-(phenylcarbamoylamino)benzamide
SMILESCC[C@@H](C)NC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C18H21N3O2/c1-3-13(2)19-17(22)14-9-11-16(12-10-14)21-18(23)20-15-7-5-4-6-8-15/h4-13H,3H2,1-2H3,(H,19,22)(H2,20,21,23)/t13-/m1/s1
InChIKeyRWNJKZOZWFIQNF-CYBMUJFWSA-N
XLogP3.86
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-acetamido-N-butan-2-ylbenzamide
CID 4540233
N-butan-2-yl-4-(5-methylhexan-2-ylcarbamoylamino)benzamide
CID 60569862
1-[4-(butan-2-ylamino)phenyl]-3-phenylurea
CID 112980502
N-butan-2-yl-4-(3-phenylpropanoylamino)benzamide
CID 17201204
N-[4-(butan-2-ylcarbamoyl)phenyl]-2-chlorobenzamide
CID 17201202
N,N'-bis[4-(butan-2-ylcarbamoyl)phenyl]pentanediamide
CID 17201639
N-[(2R)-butan-2-yl]-4-(2,2-dimethylpropanoylamino)benzamide
CID 42427493
(E)-4-[4-(butan-2-ylcarbamoyl)anilino]-4-oxobut-2-enoic acid
CID 17201190
N-ethyl-4-(phenylcarbamoylamino)benzamide
CID 17234281
N,N'-bis[4-(butan-2-ylcarbamoyl)phenyl]decanediamide
CID 17201350
methyl 4-[[4-(butan-2-ylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17201378
5-[4-(butan-2-ylcarbamoyl)anilino]-5-oxopentanoic acid
CID 17201277

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-4-(phenylcarbamoylamino)benzamide?
The IUPAC name of N-[(2R)-butan-2-yl]-4-(phenylcarbamoylamino)benzamide (CID 42427532) is N-[(2R)-butan-2-yl]-4-(phenylcarbamoylamino)benzamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-4-(phenylcarbamoylamino)benzamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-4-(phenylcarbamoylamino)benzamide is CC[C@@H](C)NC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1.
What is the InChIKey of N-[(2R)-butan-2-yl]-4-(phenylcarbamoylamino)benzamide?
The InChIKey is RWNJKZOZWFIQNF-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-3-13(2)19-17(22)14-9-11-16(12-10-14)21-18(23)20-15-7-5-4-6-8-15/h4-13H,3H2,1-2H3,(H,19,22)(H2,20,21,23)/t13-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-4-(phenylcarbamoylamino)benzamide?
N-[(2R)-butan-2-yl]-4-(phenylcarbamoylamino)benzamide has a molecular weight of 311.38 g/mol, XLogP of 3.86, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-4-(phenylcarbamoylamino)benzamide is sourced from PubChem (CID 42427532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).