N-[(2S)-butan-2-yl]-3-methyl-4-(2-methylpropylcarbamoylamino)benzamide

C17H27N3O2 — CID 95266887

IUPACN-[(2S)-butan-2-yl]-3-methyl-4-(2-methylpropylcarbamoylamino)benzamide
SMILESCC[C@H](C)NC(=O)c1ccc(NC(=O)NCC(C)C)c(C)c1
InChIInChI=1S/C17H27N3O2/c1-6-13(5)19-16(21)14-7-8-15(12(4)9-14)20-17(22)18-10-11(2)3/h7-9,11,13H,6,10H2,1-5H3,(H,19,21)(H2,18,20,22)/t13-/m0/s1
InChIKeyDJQLJHYPKYKNBI-ZDUSSCGKSA-N
MW305.42 g/mol
LogP3.30
Rot. Bonds6

About N-[(2S)-butan-2-yl]-3-methyl-4-(2-methylpropylcarbamoylamino)benzamide

N-[(2S)-butan-2-yl]-3-methyl-4-(2-methylpropylcarbamoylamino)benzamide (PubChem CID 95266887) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-3-methyl-4-(2-methylpropylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-3-methyl-4-(2-methylpropylcarbamoylamino)benzamide
PubChem CID95266887
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN-[(2S)-butan-2-yl]-3-methyl-4-(2-methylpropylcarbamoylamino)benzamide
SMILESCC[C@H](C)NC(=O)c1ccc(NC(=O)NCC(C)C)c(C)c1
InChIInChI=1S/C17H27N3O2/c1-6-13(5)19-16(21)14-7-8-15(12(4)9-14)20-17(22)18-10-11(2)3/h7-9,11,13H,6,10H2,1-5H3,(H,19,21)(H2,18,20,22)/t13-/m0/s1
InChIKeyDJQLJHYPKYKNBI-ZDUSSCGKSA-N
XLogP3.30
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-butan-2-yl]-3-methyl-4-(2-methylpropylcarbamoylamino)benzamide
CID 95266886
N-ethyl-3-methyl-4-(2-methylpropylcarbamoylamino)benzamide
CID 47264617
N-[(2R)-butan-2-yl]-3-methyl-4-[[(2S)-oxolan-2-yl]methylcarbamoylamino]benzamide
CID 95266898
N-[(2S)-butan-2-yl]-3-methyl-4-[[(2R)-oxolan-2-yl]methylcarbamoylamino]benzamide
CID 95266901
N-[(2R)-butan-2-yl]-3-methyl-4-[[methyl(2-methylpropyl)carbamoyl]amino]benzamide
CID 94962179
(1R,2R,3S,4R)-3-[[4-[[(2S)-butan-2-yl]carbamoyl]-2-methylphenyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 124806782
(1R,2R,3R,4R)-3-[[4-[[(2S)-butan-2-yl]carbamoyl]-2-methylphenyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 124806779
4-N-butan-2-yl-2-N-(4-chloro-2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109080050
N-[(2S)-butan-2-yl]-4-methoxy-3-methylbenzamide
CID 40922017
1-(5-acetyl-2-methylphenyl)-3-(2-methylpropyl)urea
CID 110612624
3-N-butan-2-yl-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide
CID 109051512
3-amino-N-butan-2-yl-4-methylbenzamide
CID 16771437

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-3-methyl-4-(2-methylpropylcarbamoylamino)benzamide?
The IUPAC name of N-[(2S)-butan-2-yl]-3-methyl-4-(2-methylpropylcarbamoylamino)benzamide (CID 95266887) is N-[(2S)-butan-2-yl]-3-methyl-4-(2-methylpropylcarbamoylamino)benzamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-3-methyl-4-(2-methylpropylcarbamoylamino)benzamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-3-methyl-4-(2-methylpropylcarbamoylamino)benzamide is CC[C@H](C)NC(=O)c1ccc(NC(=O)NCC(C)C)c(C)c1.
What is the InChIKey of N-[(2S)-butan-2-yl]-3-methyl-4-(2-methylpropylcarbamoylamino)benzamide?
The InChIKey is DJQLJHYPKYKNBI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-6-13(5)19-16(21)14-7-8-15(12(4)9-14)20-17(22)18-10-11(2)3/h7-9,11,13H,6,10H2,1-5H3,(H,19,21)(H2,18,20,22)/t13-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-3-methyl-4-(2-methylpropylcarbamoylamino)benzamide?
N-[(2S)-butan-2-yl]-3-methyl-4-(2-methylpropylcarbamoylamino)benzamide has a molecular weight of 305.42 g/mol, XLogP of 3.30, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-3-methyl-4-(2-methylpropylcarbamoylamino)benzamide is sourced from PubChem (CID 95266887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).