N-(2-amino-2-oxoethyl)-3-(benzylcarbamoylamino)benzamide

C17H18N4O3 — CID 141029979

IUPACN-(2-amino-2-oxoethyl)-3-(benzylcarbamoylamino)benzamide
SMILESNC(=O)CNC(=O)c1cccc(NC(=O)NCc2ccccc2)c1
InChIInChI=1S/C17H18N4O3/c18-15(22)11-19-16(23)13-7-4-8-14(9-13)21-17(24)20-10-12-5-2-1-3-6-12/h1-9H,10-11H2,(H2,18,22)(H,19,23)(H2,20,21,24)
InChIKeyREDOIPSCHYLLJJ-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.22
Rot. Bonds6

About N-(2-amino-2-oxoethyl)-3-(benzylcarbamoylamino)benzamide

N-(2-amino-2-oxoethyl)-3-(benzylcarbamoylamino)benzamide (PubChem CID 141029979) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-3-(benzylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-3-(benzylcarbamoylamino)benzamide
PubChem CID141029979
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC NameN-(2-amino-2-oxoethyl)-3-(benzylcarbamoylamino)benzamide
SMILESNC(=O)CNC(=O)c1cccc(NC(=O)NCc2ccccc2)c1
InChIInChI=1S/C17H18N4O3/c18-15(22)11-19-16(23)13-7-4-8-14(9-13)21-17(24)20-10-12-5-2-1-3-6-12/h1-9H,10-11H2,(H2,18,22)(H,19,23)(H2,20,21,24)
InChIKeyREDOIPSCHYLLJJ-UHFFFAOYSA-N
XLogP1.22
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-(2-amino-2-oxoethyl)benzamide
CID 47116875
1-benzyl-3-(3-propanoylphenyl)urea
CID 141242249
3-[3-[[[3-(benzylcarbamoylamino)benzoyl]amino]methyl]phenyl]-3-phenylpropanoic acid
CID 19076827
3-(benzylcarbamoylamino)-N-(4-propylphenyl)benzamide
CID 20667039
ethyl 2-[[2-[[3-(benzylcarbamoylamino)benzoyl]amino]acetyl]amino]-3-(3-chlorophenyl)propanoate
CID 70198860
N-benzyl-3-(2-phenylethylcarbamothioylamino)benzamide
CID 17023803
N-benzyl-3-[(4-phenylbenzoyl)amino]benzamide
CID 28638755
N,N'-bis[3-(benzylcarbamoyl)phenyl]nonanediamide
CID 43887216
ethyl (E)-3-[3-[[[3-(benzylcarbamoylamino)benzoyl]amino]methyl]phenyl]prop-2-enoate
CID 70109243
4-[(phenylcarbamoylamino)methyl]benzamide
CID 47118035
ethyl 3-[[2-[[3-(benzylcarbamoylamino)benzoyl]amino]acetyl]amino]-3-(3,5-dichlorophenyl)propanoate
CID 19357369
2-[(3-ethylphenyl)carbamoylamino]acetamide
CID 144801383

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-3-(benzylcarbamoylamino)benzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-3-(benzylcarbamoylamino)benzamide (CID 141029979) is N-(2-amino-2-oxoethyl)-3-(benzylcarbamoylamino)benzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-3-(benzylcarbamoylamino)benzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-3-(benzylcarbamoylamino)benzamide is NC(=O)CNC(=O)c1cccc(NC(=O)NCc2ccccc2)c1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-3-(benzylcarbamoylamino)benzamide?
The InChIKey is REDOIPSCHYLLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c18-15(22)11-19-16(23)13-7-4-8-14(9-13)21-17(24)20-10-12-5-2-1-3-6-12/h1-9H,10-11H2,(H2,18,22)(H,19,23)(H2,20,21,24).
What are the key properties of N-(2-amino-2-oxoethyl)-3-(benzylcarbamoylamino)benzamide?
N-(2-amino-2-oxoethyl)-3-(benzylcarbamoylamino)benzamide has a molecular weight of 326.36 g/mol, XLogP of 1.22, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-3-(benzylcarbamoylamino)benzamide is sourced from PubChem (CID 141029979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).