3-[benzyl(ethyl)carbamoyl]benzoic acid

C17H17NO3 — CID 43452784

IUPAC3-[benzyl(ethyl)carbamoyl]benzoic acid
SMILESCCN(Cc1ccccc1)C(=O)c1cccc(C(=O)O)c1
InChIInChI=1S/C17H17NO3/c1-2-18(12-13-7-4-3-5-8-13)16(19)14-9-6-10-15(11-14)17(20)21/h3-11H,2,12H2,1H3,(H,20,21)
InChIKeyDSAFCGKMKFNEPG-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.05
Rot. Bonds5

About 3-[benzyl(ethyl)carbamoyl]benzoic acid

3-[benzyl(ethyl)carbamoyl]benzoic acid (PubChem CID 43452784) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-[benzyl(ethyl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name3-[benzyl(ethyl)carbamoyl]benzoic acid
PubChem CID43452784
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name3-[benzyl(ethyl)carbamoyl]benzoic acid
SMILESCCN(Cc1ccccc1)C(=O)c1cccc(C(=O)O)c1
InChIInChI=1S/C17H17NO3/c1-2-18(12-13-7-4-3-5-8-13)16(19)14-9-6-10-15(11-14)17(20)21/h3-11H,2,12H2,1H3,(H,20,21)
InChIKeyDSAFCGKMKFNEPG-UHFFFAOYSA-N
XLogP3.05
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[[3-[[[3-[[[3-[[[3-[[[3-[[benzoyl(ethyl)amino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoic acid
CID 56590718
3-N-benzyl-3-N-ethyl-1-N-propylbenzene-1,3-dicarboxamide
CID 109050312
3-[ethyl(furan-3-ylmethyl)carbamoyl]benzoic acid
CID 75482711
N-benzyl-3-(cyanomethyl)-N-ethylbenzamide
CID 78884014
N-benzyl-N-ethyl-3-(propanoylamino)benzamide
CID 17309573
3-N-benzyl-3-N-ethyl-1-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 109054430
N-benzyl-N-ethyl-3-(methylsulfamoyl)benzamide
CID 100623214
1-N,3-N-dibenzyl-1-N,3-N-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide
CID 3309530
3-[[benzyl(ethyl)amino]methyl]benzoic acid
CID 22685949
3-N-benzyl-1-N-(2-cyanophenyl)-3-N-ethylbenzene-1,3-dicarboxamide
CID 109054951
4-(dibenzylcarbamoyl)benzoic acid
CID 67563328
N-benzyl-4-carbamothioyl-N-ethylbenzamide
CID 28983877

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(ethyl)carbamoyl]benzoic acid?
The IUPAC name of 3-[benzyl(ethyl)carbamoyl]benzoic acid (CID 43452784) is 3-[benzyl(ethyl)carbamoyl]benzoic acid.
What is the SMILES notation for 3-[benzyl(ethyl)carbamoyl]benzoic acid?
The canonical SMILES for 3-[benzyl(ethyl)carbamoyl]benzoic acid is CCN(Cc1ccccc1)C(=O)c1cccc(C(=O)O)c1.
What is the InChIKey of 3-[benzyl(ethyl)carbamoyl]benzoic acid?
The InChIKey is DSAFCGKMKFNEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-2-18(12-13-7-4-3-5-8-13)16(19)14-9-6-10-15(11-14)17(20)21/h3-11H,2,12H2,1H3,(H,20,21).
What are the key properties of 3-[benzyl(ethyl)carbamoyl]benzoic acid?
3-[benzyl(ethyl)carbamoyl]benzoic acid has a molecular weight of 283.33 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(ethyl)carbamoyl]benzoic acid is sourced from PubChem (CID 43452784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).