N-butan-2-yl-4-(3-phenylpropanoylamino)benzamide

C20H24N2O2 — CID 17201204

IUPACN-butan-2-yl-4-(3-phenylpropanoylamino)benzamide
SMILESCCC(C)NC(=O)c1ccc(NC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C20H24N2O2/c1-3-15(2)21-20(24)17-10-12-18(13-11-17)22-19(23)14-9-16-7-5-4-6-8-16/h4-8,10-13,15H,3,9,14H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyJUVUXWWPPQOBOK-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.79
Rot. Bonds7

About N-butan-2-yl-4-(3-phenylpropanoylamino)benzamide

N-butan-2-yl-4-(3-phenylpropanoylamino)benzamide (PubChem CID 17201204) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-butan-2-yl-4-(3-phenylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-butan-2-yl-4-(3-phenylpropanoylamino)benzamide
PubChem CID17201204
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-butan-2-yl-4-(3-phenylpropanoylamino)benzamide
SMILESCCC(C)NC(=O)c1ccc(NC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C20H24N2O2/c1-3-15(2)21-20(24)17-10-12-18(13-11-17)22-19(23)14-9-16-7-5-4-6-8-16/h4-8,10-13,15H,3,9,14H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyJUVUXWWPPQOBOK-UHFFFAOYSA-N
XLogP3.79
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-bis[4-(butan-2-ylcarbamoyl)phenyl]pentanediamide
CID 17201639
N,N'-bis[4-(butan-2-ylcarbamoyl)phenyl]decanediamide
CID 17201350
5-[4-(butan-2-ylcarbamoyl)anilino]-5-oxopentanoic acid
CID 17201277
N-[(2R)-butan-2-yl]-4-(phenylcarbamoylamino)benzamide
CID 42427532
4-(3-phenylpropanoylamino)benzoic acid
CID 10492186
N-butan-2-yl-4-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]benzamide
CID 54823938
N-[4-[(3-phenylpropanoylamino)carbamoyl]phenyl]propanamide
CID 600576
methyl 4-[4-(butan-2-ylcarbamoyl)anilino]-4-oxobutanoate
CID 17201246
acetic acid;N-[4-(hydrazinecarbonyl)phenyl]-3-phenylpropanamide
CID 172856727
N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-3-phenylpropanamide
CID 1304672
N-[4-(butan-2-ylsulfamoyl)phenyl]-3-phenylpropanamide
CID 2947595
4-acetamido-N-butan-2-ylbenzamide
CID 4540233

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-(3-phenylpropanoylamino)benzamide?
The IUPAC name of N-butan-2-yl-4-(3-phenylpropanoylamino)benzamide (CID 17201204) is N-butan-2-yl-4-(3-phenylpropanoylamino)benzamide.
What is the SMILES notation for N-butan-2-yl-4-(3-phenylpropanoylamino)benzamide?
The canonical SMILES for N-butan-2-yl-4-(3-phenylpropanoylamino)benzamide is CCC(C)NC(=O)c1ccc(NC(=O)CCc2ccccc2)cc1.
What is the InChIKey of N-butan-2-yl-4-(3-phenylpropanoylamino)benzamide?
The InChIKey is JUVUXWWPPQOBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-3-15(2)21-20(24)17-10-12-18(13-11-17)22-19(23)14-9-16-7-5-4-6-8-16/h4-8,10-13,15H,3,9,14H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-butan-2-yl-4-(3-phenylpropanoylamino)benzamide?
N-butan-2-yl-4-(3-phenylpropanoylamino)benzamide has a molecular weight of 324.42 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-(3-phenylpropanoylamino)benzamide is sourced from PubChem (CID 17201204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).