3-acetamido-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]benzamide

C24H24N4O3 — CID 55728026

IUPAC3-acetamido-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)NC(C)c2ccc(NC(=O)Nc3ccccc3)cc2)c1
InChIInChI=1S/C24H24N4O3/c1-16(25-23(30)19-7-6-10-22(15-19)26-17(2)29)18-11-13-21(14-12-18)28-24(31)27-20-8-4-3-5-9-20/h3-16H,1-2H3,(H,25,30)(H,26,29)(H2,27,28,31)
InChIKeyPTOOIVOLTKFSOP-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.78
Rot. Bonds6

About 3-acetamido-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]benzamide

3-acetamido-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]benzamide (PubChem CID 55728026) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is 3-acetamido-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name3-acetamido-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]benzamide
PubChem CID55728026
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name3-acetamido-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)NC(C)c2ccc(NC(=O)Nc3ccccc3)cc2)c1
InChIInChI=1S/C24H24N4O3/c1-16(25-23(30)19-7-6-10-22(15-19)26-17(2)29)18-11-13-21(14-12-18)28-24(31)27-20-8-4-3-5-9-20/h3-16H,1-2H3,(H,25,30)(H,26,29)(H2,27,28,31)
InChIKeyPTOOIVOLTKFSOP-UHFFFAOYSA-N
XLogP4.78
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-[1-(4-bromophenyl)ethyl]benzamide
CID 47004737
3-acetamido-N-[(1R)-1-(4-bromophenyl)ethyl]benzamide
CID 26072551
N-[1-(3-acetamidophenyl)ethyl]benzamide
CID 46468162
4-acetamido-N-(1-phenylethyl)benzamide
CID 2841785
3-[(2,2-diphenylacetyl)amino]-N-(1-phenylethyl)benzamide
CID 43877741
N-(1-phenylethyl)-3-(propanoylamino)benzamide
CID 17309569
3-acetamido-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]benzamide
CID 40633096
3-[(2-bromoacetyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 93083294
3-(2-phenoxypropanoylamino)-N-(1-phenylethyl)benzamide
CID 43877796
N,N'-bis[3-(1-phenylethylcarbamoyl)phenyl]nonanediamide
CID 43878143
4-oxo-4-[3-(1-phenylethylcarbamoyl)anilino]butanoic acid
CID 43877722
N-[3-[1-[(4-phenylphenyl)carbamoylamino]ethyl]phenyl]acetamide
CID 47032022

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]benzamide?
The IUPAC name of 3-acetamido-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]benzamide (CID 55728026) is 3-acetamido-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]benzamide.
What is the SMILES notation for 3-acetamido-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]benzamide?
The canonical SMILES for 3-acetamido-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]benzamide is CC(=O)Nc1cccc(C(=O)NC(C)c2ccc(NC(=O)Nc3ccccc3)cc2)c1.
What is the InChIKey of 3-acetamido-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]benzamide?
The InChIKey is PTOOIVOLTKFSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-16(25-23(30)19-7-6-10-22(15-19)26-17(2)29)18-11-13-21(14-12-18)28-24(31)27-20-8-4-3-5-9-20/h3-16H,1-2H3,(H,25,30)(H,26,29)(H2,27,28,31).
What are the key properties of 3-acetamido-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]benzamide?
3-acetamido-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]benzamide has a molecular weight of 416.48 g/mol, XLogP of 4.78, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]benzamide is sourced from PubChem (CID 55728026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).