3-[(2S)-butan-2-yl]oxy-N-[3-(propanoylamino)phenyl]benzamide

C20H24N2O3 — CID 40976698

IUPAC3-[(2S)-butan-2-yl]oxy-N-[3-(propanoylamino)phenyl]benzamide
SMILESCCC(=O)Nc1cccc(NC(=O)c2cccc(O[C@@H](C)CC)c2)c1
InChIInChI=1S/C20H24N2O3/c1-4-14(3)25-18-11-6-8-15(12-18)20(24)22-17-10-7-9-16(13-17)21-19(23)5-2/h6-14H,4-5H2,1-3H3,(H,21,23)(H,22,24)/t14-/m0/s1
InChIKeyNFSKSWXAAXIBHY-AWEZNQCLSA-N
MW340.42 g/mol
LogP4.46
Rot. Bonds7

About 3-[(2S)-butan-2-yl]oxy-N-[3-(propanoylamino)phenyl]benzamide

3-[(2S)-butan-2-yl]oxy-N-[3-(propanoylamino)phenyl]benzamide (PubChem CID 40976698) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 3-[(2S)-butan-2-yl]oxy-N-[3-(propanoylamino)phenyl]benzamide.

Molecular Properties

Compound Name3-[(2S)-butan-2-yl]oxy-N-[3-(propanoylamino)phenyl]benzamide
PubChem CID40976698
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name3-[(2S)-butan-2-yl]oxy-N-[3-(propanoylamino)phenyl]benzamide
SMILESCCC(=O)Nc1cccc(NC(=O)c2cccc(O[C@@H](C)CC)c2)c1
InChIInChI=1S/C20H24N2O3/c1-4-14(3)25-18-11-6-8-15(12-18)20(24)22-17-10-7-9-16(13-17)21-19(23)5-2/h6-14H,4-5H2,1-3H3,(H,21,23)(H,22,24)/t14-/m0/s1
InChIKeyNFSKSWXAAXIBHY-AWEZNQCLSA-N
XLogP4.46
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(2S)-butan-2-yl]oxy-N-[3-(propanoylamino)phenyl]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

3-butan-2-yloxy-N-(3-methylphenyl)benzamide
CID 17149681
3-butan-2-yloxy-N-(3-chlorophenyl)benzamide
CID 17149674
methyl 3-[(3-butan-2-yloxyphenyl)carbamoyl]benzoate
CID 17175369
3-butan-2-yloxy-N-[3-(3-methylbutoxy)phenyl]benzamide
CID 17149831
N-[3-(butanoylamino)phenyl]-4-butan-2-yloxybenzamide
CID 17187670
N-(3-butan-2-yloxyphenyl)-3-(2-methylprop-2-enoxy)benzamide
CID 17161663
N-[[3-(butanoylamino)phenyl]carbamothioyl]-3-butan-2-yloxybenzamide
CID 17187764
N-(3-butan-2-yloxyphenyl)-2-cyanoacetamide
CID 62328244
N-[4-[[2-(3-butan-2-yloxyanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835772
propan-2-yl 4-[[3-[(2R)-butan-2-yl]oxybenzoyl]amino]benzoate
CID 40769471
methyl 4-[(3-butan-2-yloxyphenyl)carbamoyl]benzoate
CID 17178329
N-[3-(propanoylamino)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 38043079

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-butan-2-yl]oxy-N-[3-(propanoylamino)phenyl]benzamide?
The IUPAC name of 3-[(2S)-butan-2-yl]oxy-N-[3-(propanoylamino)phenyl]benzamide (CID 40976698) is 3-[(2S)-butan-2-yl]oxy-N-[3-(propanoylamino)phenyl]benzamide.
What is the SMILES notation for 3-[(2S)-butan-2-yl]oxy-N-[3-(propanoylamino)phenyl]benzamide?
The canonical SMILES for 3-[(2S)-butan-2-yl]oxy-N-[3-(propanoylamino)phenyl]benzamide is CCC(=O)Nc1cccc(NC(=O)c2cccc(O[C@@H](C)CC)c2)c1.
What is the InChIKey of 3-[(2S)-butan-2-yl]oxy-N-[3-(propanoylamino)phenyl]benzamide?
The InChIKey is NFSKSWXAAXIBHY-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-4-14(3)25-18-11-6-8-15(12-18)20(24)22-17-10-7-9-16(13-17)21-19(23)5-2/h6-14H,4-5H2,1-3H3,(H,21,23)(H,22,24)/t14-/m0/s1.
What are the key properties of 3-[(2S)-butan-2-yl]oxy-N-[3-(propanoylamino)phenyl]benzamide?
3-[(2S)-butan-2-yl]oxy-N-[3-(propanoylamino)phenyl]benzamide has a molecular weight of 340.42 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-butan-2-yl]oxy-N-[3-(propanoylamino)phenyl]benzamide is sourced from PubChem (CID 40976698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).