N-butan-2-yl-3-methyl-4-[3-(oxan-2-yl)propanoylamino]benzamide

C20H30N2O3 — CID 56786530

IUPACN-butan-2-yl-3-methyl-4-[3-(oxan-2-yl)propanoylamino]benzamide
SMILESCCC(C)NC(=O)c1ccc(NC(=O)CCC2CCCCO2)c(C)c1
InChIInChI=1S/C20H30N2O3/c1-4-15(3)21-20(24)16-8-10-18(14(2)13-16)22-19(23)11-9-17-7-5-6-12-25-17/h8,10,13,15,17H,4-7,9,11-12H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyLKCFKISCCSPWKW-UHFFFAOYSA-N
MW346.47 g/mol
LogP3.81
Rot. Bonds7

About N-butan-2-yl-3-methyl-4-[3-(oxan-2-yl)propanoylamino]benzamide

N-butan-2-yl-3-methyl-4-[3-(oxan-2-yl)propanoylamino]benzamide (PubChem CID 56786530) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is N-butan-2-yl-3-methyl-4-[3-(oxan-2-yl)propanoylamino]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-3-methyl-4-[3-(oxan-2-yl)propanoylamino]benzamide
PubChem CID56786530
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC NameN-butan-2-yl-3-methyl-4-[3-(oxan-2-yl)propanoylamino]benzamide
SMILESCCC(C)NC(=O)c1ccc(NC(=O)CCC2CCCCO2)c(C)c1
InChIInChI=1S/C20H30N2O3/c1-4-15(3)21-20(24)16-8-10-18(14(2)13-16)22-19(23)11-9-17-7-5-6-12-25-17/h8,10,13,15,17H,4-7,9,11-12H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyLKCFKISCCSPWKW-UHFFFAOYSA-N
XLogP3.81
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-butan-2-yl-3-methyl-4-[3-(oxan-2-yl)propanoylamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-(4-amino-2-methylphenyl)-3-(oxan-2-yl)propanamide
CID 63951302
3-amino-4-[3-(oxan-2-yl)propanoylamino]benzoic acid
CID 63952709
N-(5-bromo-2-methylphenyl)-3-(oxan-2-yl)propanamide
CID 63940200
N-(5-amino-2-methylphenyl)-3-(oxan-2-yl)propanamide;hydrochloride
CID 120568872
4-hydroxy-3-[3-(oxolan-2-yl)propanoylamino]benzoic acid
CID 107264659
3-amino-4-[3-(oxolan-2-yl)propanoylamino]benzoic acid
CID 65157363
3-methyl-4-[3-(oxolan-2-yl)propanoylamino]benzenesulfonyl chloride
CID 65157203
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
N-(5-bromo-2-methylphenyl)-3-(oxolan-2-yl)propanamide
CID 60794150

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-methyl-4-[3-(oxan-2-yl)propanoylamino]benzamide?
The IUPAC name of N-butan-2-yl-3-methyl-4-[3-(oxan-2-yl)propanoylamino]benzamide (CID 56786530) is N-butan-2-yl-3-methyl-4-[3-(oxan-2-yl)propanoylamino]benzamide.
What is the SMILES notation for N-butan-2-yl-3-methyl-4-[3-(oxan-2-yl)propanoylamino]benzamide?
The canonical SMILES for N-butan-2-yl-3-methyl-4-[3-(oxan-2-yl)propanoylamino]benzamide is CCC(C)NC(=O)c1ccc(NC(=O)CCC2CCCCO2)c(C)c1.
What is the InChIKey of N-butan-2-yl-3-methyl-4-[3-(oxan-2-yl)propanoylamino]benzamide?
The InChIKey is LKCFKISCCSPWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-4-15(3)21-20(24)16-8-10-18(14(2)13-16)22-19(23)11-9-17-7-5-6-12-25-17/h8,10,13,15,17H,4-7,9,11-12H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of N-butan-2-yl-3-methyl-4-[3-(oxan-2-yl)propanoylamino]benzamide?
N-butan-2-yl-3-methyl-4-[3-(oxan-2-yl)propanoylamino]benzamide has a molecular weight of 346.47 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-methyl-4-[3-(oxan-2-yl)propanoylamino]benzamide is sourced from PubChem (CID 56786530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).