N-butyl-N-phenyl-3-(propanoylamino)benzamide

C20H24N2O2 — CID 17309767

IUPACN-butyl-N-phenyl-3-(propanoylamino)benzamide
SMILESCCCCN(C(=O)c1cccc(NC(=O)CC)c1)c1ccccc1
InChIInChI=1S/C20H24N2O2/c1-3-5-14-22(18-12-7-6-8-13-18)20(24)16-10-9-11-17(15-16)21-19(23)4-2/h6-13,15H,3-5,14H2,1-2H3,(H,21,23)
InChIKeyNCNNPUAEZRWXKF-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.48
Rot. Bonds7

About N-butyl-N-phenyl-3-(propanoylamino)benzamide

N-butyl-N-phenyl-3-(propanoylamino)benzamide (PubChem CID 17309767) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-butyl-N-phenyl-3-(propanoylamino)benzamide.

Molecular Properties

Compound NameN-butyl-N-phenyl-3-(propanoylamino)benzamide
PubChem CID17309767
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-butyl-N-phenyl-3-(propanoylamino)benzamide
SMILESCCCCN(C(=O)c1cccc(NC(=O)CC)c1)c1ccccc1
InChIInChI=1S/C20H24N2O2/c1-3-5-14-22(18-12-7-6-8-13-18)20(24)16-10-9-11-17(15-16)21-19(23)4-2/h6-13,15H,3-5,14H2,1-2H3,(H,21,23)
InChIKeyNCNNPUAEZRWXKF-UHFFFAOYSA-N
XLogP4.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-butyl-N-phenylbenzamide
CID 17256559
N-ethyl-N-phenyl-3-[[2-[3-(propanoylamino)anilino]acetyl]amino]benzamide
CID 54833237
3-acetamido-N-ethyl-N-phenylbenzamide
CID 17221925
4-benzamido-N-butyl-N-phenylbenzamide
CID 17153379
3-benzamido-N,N-dibutylbenzamide
CID 4270775
N-butyl-3-(methylsulfonylmethyl)-N-phenylbenzamide
CID 78811673
N-ethyl-3-[[2-(4-methylanilino)acetyl]amino]-N-phenylbenzamide
CID 54814231
N-butyl-3-hydroxy-4-methyl-N-phenylbenzamide
CID 64585980
3-[[2-[4-(dipropylcarbamoyl)anilino]acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 54834886
N-benzyl-N-ethyl-3-(propanoylamino)benzamide
CID 17309573
N-benzyl-N-(2-hydroxyethyl)-3-(propanoylamino)benzamide
CID 46988992
N-(3-acetylphenyl)propanamide
CID 903063

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-phenyl-3-(propanoylamino)benzamide?
The IUPAC name of N-butyl-N-phenyl-3-(propanoylamino)benzamide (CID 17309767) is N-butyl-N-phenyl-3-(propanoylamino)benzamide.
What is the SMILES notation for N-butyl-N-phenyl-3-(propanoylamino)benzamide?
The canonical SMILES for N-butyl-N-phenyl-3-(propanoylamino)benzamide is CCCCN(C(=O)c1cccc(NC(=O)CC)c1)c1ccccc1.
What is the InChIKey of N-butyl-N-phenyl-3-(propanoylamino)benzamide?
The InChIKey is NCNNPUAEZRWXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-3-5-14-22(18-12-7-6-8-13-18)20(24)16-10-9-11-17(15-16)21-19(23)4-2/h6-13,15H,3-5,14H2,1-2H3,(H,21,23).
What are the key properties of N-butyl-N-phenyl-3-(propanoylamino)benzamide?
N-butyl-N-phenyl-3-(propanoylamino)benzamide has a molecular weight of 324.42 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-phenyl-3-(propanoylamino)benzamide is sourced from PubChem (CID 17309767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).