3-(benzylcarbamoylamino)-N-(4-propylphenyl)benzamide

C24H25N3O2 — CID 20667039

IUPAC3-(benzylcarbamoylamino)-N-(4-propylphenyl)benzamide
SMILESCCCc1ccc(NC(=O)c2cccc(NC(=O)NCc3ccccc3)c2)cc1
InChIInChI=1S/C24H25N3O2/c1-2-7-18-12-14-21(15-13-18)26-23(28)20-10-6-11-22(16-20)27-24(29)25-17-19-8-4-3-5-9-19/h3-6,8-16H,2,7,17H2,1H3,(H,26,28)(H2,25,27,29)
InChIKeyBATUDERGKFMXEC-UHFFFAOYSA-N
MW387.48 g/mol
LogP5.21
Rot. Bonds7

About 3-(benzylcarbamoylamino)-N-(4-propylphenyl)benzamide

3-(benzylcarbamoylamino)-N-(4-propylphenyl)benzamide (PubChem CID 20667039) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 3-(benzylcarbamoylamino)-N-(4-propylphenyl)benzamide.

Molecular Properties

Compound Name3-(benzylcarbamoylamino)-N-(4-propylphenyl)benzamide
PubChem CID20667039
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name3-(benzylcarbamoylamino)-N-(4-propylphenyl)benzamide
SMILESCCCc1ccc(NC(=O)c2cccc(NC(=O)NCc3ccccc3)c2)cc1
InChIInChI=1S/C24H25N3O2/c1-2-7-18-12-14-21(15-13-18)26-23(28)20-10-6-11-22(16-20)27-24(29)25-17-19-8-4-3-5-9-19/h3-6,8-16H,2,7,17H2,1H3,(H,26,28)(H2,25,27,29)
InChIKeyBATUDERGKFMXEC-UHFFFAOYSA-N
XLogP5.21
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.48
LogP ≤ 55.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-(3-propanoylphenyl)urea
CID 141242249
N-(2-amino-2-oxoethyl)-3-(benzylcarbamoylamino)benzamide
CID 141029979
3-fluoro-N-(4-propylphenyl)benzamide
CID 26178121
3-[[(4-carbamoylphenyl)carbamoylamino]methyl]-N-[4-[2-(dimethylamino)ethyl]phenyl]benzamide
CID 59190802
3-[[3-(4-ethylphenyl)propanoylamino]methyl]-N-phenylbenzamide
CID 46466164
N-phenyl-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
CID 135223119
N-benzyl-3-(2-phenylethylcarbamothioylamino)benzamide
CID 17023803
N-ethyl-3-(3-phenylpropanoylamino)benzamide
CID 17230644
N-benzyl-3-[(4-phenylbenzoyl)amino]benzamide
CID 28638755
methyl 4-[[3-(benzylcarbamoyl)phenyl]carbamoyl]benzoate
CID 28638986
N-(4-fluorophenyl)-3-propylbenzamide
CID 67124945
1-(4-anilinophenyl)-3-benzylurea
CID 24664594

Frequently Asked Questions

What is the IUPAC name of 3-(benzylcarbamoylamino)-N-(4-propylphenyl)benzamide?
The IUPAC name of 3-(benzylcarbamoylamino)-N-(4-propylphenyl)benzamide (CID 20667039) is 3-(benzylcarbamoylamino)-N-(4-propylphenyl)benzamide.
What is the SMILES notation for 3-(benzylcarbamoylamino)-N-(4-propylphenyl)benzamide?
The canonical SMILES for 3-(benzylcarbamoylamino)-N-(4-propylphenyl)benzamide is CCCc1ccc(NC(=O)c2cccc(NC(=O)NCc3ccccc3)c2)cc1.
What is the InChIKey of 3-(benzylcarbamoylamino)-N-(4-propylphenyl)benzamide?
The InChIKey is BATUDERGKFMXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-2-7-18-12-14-21(15-13-18)26-23(28)20-10-6-11-22(16-20)27-24(29)25-17-19-8-4-3-5-9-19/h3-6,8-16H,2,7,17H2,1H3,(H,26,28)(H2,25,27,29).
What are the key properties of 3-(benzylcarbamoylamino)-N-(4-propylphenyl)benzamide?
3-(benzylcarbamoylamino)-N-(4-propylphenyl)benzamide has a molecular weight of 387.48 g/mol, XLogP of 5.21, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylcarbamoylamino)-N-(4-propylphenyl)benzamide is sourced from PubChem (CID 20667039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).