N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2,3-dimethoxybenzamide

C20H24N2O4 — CID 95903703

IUPACN-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2,3-dimethoxybenzamide
SMILESCC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1cccc(OC)c1OC
InChIInChI=1S/C20H24N2O4/c1-5-13(2)21-19(23)14-9-6-7-11-16(14)22-20(24)15-10-8-12-17(25-3)18(15)26-4/h6-13H,5H2,1-4H3,(H,21,23)(H,22,24)/t13-/m1/s1
InChIKeyLXYNJPZTCSMDLR-CYBMUJFWSA-N
MW356.42 g/mol
LogP3.48
Rot. Bonds7

About N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2,3-dimethoxybenzamide

N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2,3-dimethoxybenzamide (PubChem CID 95903703) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2,3-dimethoxybenzamide
PubChem CID95903703
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC NameN-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2,3-dimethoxybenzamide
SMILESCC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1cccc(OC)c1OC
InChIInChI=1S/C20H24N2O4/c1-5-13(2)21-19(23)14-9-6-7-11-16(14)22-20(24)15-10-8-12-17(25-3)18(15)26-4/h6-13H,5H2,1-4H3,(H,21,23)(H,22,24)/t13-/m1/s1
InChIKeyLXYNJPZTCSMDLR-CYBMUJFWSA-N
XLogP3.48
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-2-[(2-methoxybenzoyl)amino]benzamide
CID 3936748
N-butan-2-yl-2-methoxybenzamide
CID 3117660
N-butan-2-yl-2-[(2-methoxybenzoyl)carbamothioylamino]benzamide
CID 17151357
N-butan-2-yl-2-[(2-propoxybenzoyl)amino]benzamide
CID 17151255
N-butan-2-yl-2-[(2-butoxybenzoyl)amino]benzamide
CID 17151251
2,3-dimethoxy-N-[(2R)-4-methylpentan-2-yl]benzamide
CID 837030
3-[(2,3-dimethoxybenzoyl)amino]butanoic acid
CID 43240642
N-[(2S)-butan-2-yl]-2-[(2-iodobenzoyl)amino]benzamide
CID 26244706
N-butan-2-yl-2-[(3-methoxybenzoyl)amino]benzamide
CID 17417921
N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2,4,5-trimethylbenzamide
CID 100708807
N-butan-2-yl-2-[(4-fluorobenzoyl)amino]benzamide
CID 2943228
N-(4-amino-4-sulfanylidenebutan-2-yl)-2,3-dimethoxybenzamide
CID 62092430

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2,3-dimethoxybenzamide?
The IUPAC name of N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2,3-dimethoxybenzamide (CID 95903703) is N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2,3-dimethoxybenzamide.
What is the SMILES notation for N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2,3-dimethoxybenzamide?
The canonical SMILES for N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2,3-dimethoxybenzamide is CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1cccc(OC)c1OC.
What is the InChIKey of N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2,3-dimethoxybenzamide?
The InChIKey is LXYNJPZTCSMDLR-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-5-13(2)21-19(23)14-9-6-7-11-16(14)22-20(24)15-10-8-12-17(25-3)18(15)26-4/h6-13H,5H2,1-4H3,(H,21,23)(H,22,24)/t13-/m1/s1.
What are the key properties of N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2,3-dimethoxybenzamide?
N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2,3-dimethoxybenzamide has a molecular weight of 356.42 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2,3-dimethoxybenzamide is sourced from PubChem (CID 95903703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).