N-[(2R)-butan-2-yl]-3-methyl-4-[[methyl(2-methylpropyl)carbamoyl]amino]benzamide

C18H29N3O2 — CID 94962179

IUPACN-[(2R)-butan-2-yl]-3-methyl-4-[[methyl(2-methylpropyl)carbamoyl]amino]benzamide
SMILESCC[C@@H](C)NC(=O)c1ccc(NC(=O)N(C)CC(C)C)c(C)c1
InChIInChI=1S/C18H29N3O2/c1-7-14(5)19-17(22)15-8-9-16(13(4)10-15)20-18(23)21(6)11-12(2)3/h8-10,12,14H,7,11H2,1-6H3,(H,19,22)(H,20,23)/t14-/m1/s1
InChIKeyNVNIIEHEZTXUSR-CQSZACIVSA-N
MW319.45 g/mol
LogP3.64
Rot. Bonds6

About N-[(2R)-butan-2-yl]-3-methyl-4-[[methyl(2-methylpropyl)carbamoyl]amino]benzamide

N-[(2R)-butan-2-yl]-3-methyl-4-[[methyl(2-methylpropyl)carbamoyl]amino]benzamide (PubChem CID 94962179) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-3-methyl-4-[[methyl(2-methylpropyl)carbamoyl]amino]benzamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-3-methyl-4-[[methyl(2-methylpropyl)carbamoyl]amino]benzamide
PubChem CID94962179
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC NameN-[(2R)-butan-2-yl]-3-methyl-4-[[methyl(2-methylpropyl)carbamoyl]amino]benzamide
SMILESCC[C@@H](C)NC(=O)c1ccc(NC(=O)N(C)CC(C)C)c(C)c1
InChIInChI=1S/C18H29N3O2/c1-7-14(5)19-17(22)15-8-9-16(13(4)10-15)20-18(23)21(6)11-12(2)3/h8-10,12,14H,7,11H2,1-6H3,(H,19,22)(H,20,23)/t14-/m1/s1
InChIKeyNVNIIEHEZTXUSR-CQSZACIVSA-N
XLogP3.64
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-butan-2-yl]-3-methyl-4-(2-methylpropylcarbamoylamino)benzamide
CID 95266886
N-[(2S)-butan-2-yl]-3-methyl-4-(2-methylpropylcarbamoylamino)benzamide
CID 95266887
3-methyl-4-[[methyl(3-methylbutyl)carbamoyl]amino]benzoic acid
CID 61429218
4-(ethylamino)-3-methyl-N-pentan-2-ylbenzamide
CID 55161115
(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
N-[(2S)-butan-2-yl]-4-methoxy-3-methylbenzamide
CID 40922017
N,3-dimethyl-4-(methylamino)-N-(2-methylpropyl)benzamide
CID 63210523
3-N-butan-2-yl-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide
CID 109051512
3-methyl-4-[[methyl-[[(3S)-1,2,2-trimethylpyrrolidin-3-yl]methyl]carbamoyl]amino]-N-propan-2-ylbenzamide
CID 125157236
3-amino-N-butan-2-yl-4-methylbenzamide
CID 16771437
N-[(2R)-butan-2-yl]-3-methyl-4-[[(2S)-oxolan-2-yl]methylcarbamoylamino]benzamide
CID 95266898

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-3-methyl-4-[[methyl(2-methylpropyl)carbamoyl]amino]benzamide?
The IUPAC name of N-[(2R)-butan-2-yl]-3-methyl-4-[[methyl(2-methylpropyl)carbamoyl]amino]benzamide (CID 94962179) is N-[(2R)-butan-2-yl]-3-methyl-4-[[methyl(2-methylpropyl)carbamoyl]amino]benzamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-3-methyl-4-[[methyl(2-methylpropyl)carbamoyl]amino]benzamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-3-methyl-4-[[methyl(2-methylpropyl)carbamoyl]amino]benzamide is CC[C@@H](C)NC(=O)c1ccc(NC(=O)N(C)CC(C)C)c(C)c1.
What is the InChIKey of N-[(2R)-butan-2-yl]-3-methyl-4-[[methyl(2-methylpropyl)carbamoyl]amino]benzamide?
The InChIKey is NVNIIEHEZTXUSR-CQSZACIVSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-7-14(5)19-17(22)15-8-9-16(13(4)10-15)20-18(23)21(6)11-12(2)3/h8-10,12,14H,7,11H2,1-6H3,(H,19,22)(H,20,23)/t14-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-3-methyl-4-[[methyl(2-methylpropyl)carbamoyl]amino]benzamide?
N-[(2R)-butan-2-yl]-3-methyl-4-[[methyl(2-methylpropyl)carbamoyl]amino]benzamide has a molecular weight of 319.45 g/mol, XLogP of 3.64, 6 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]-3-methyl-4-[[methyl(2-methylpropyl)carbamoyl]amino]benzamide is sourced from PubChem (CID 94962179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).