N-ethyl-N-(2-hydroxyethyl)-4-(phenylcarbamoylamino)benzamide

C18H21N3O3 — CID 78821680

IUPACN-ethyl-N-(2-hydroxyethyl)-4-(phenylcarbamoylamino)benzamide
SMILESCCN(CCO)C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C18H21N3O3/c1-2-21(12-13-22)17(23)14-8-10-16(11-9-14)20-18(24)19-15-6-4-3-5-7-15/h3-11,22H,2,12-13H2,1H3,(H2,19,20,24)
InChIKeyZTOLHDSVFBDUOF-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.79
Rot. Bonds6

About N-ethyl-N-(2-hydroxyethyl)-4-(phenylcarbamoylamino)benzamide

N-ethyl-N-(2-hydroxyethyl)-4-(phenylcarbamoylamino)benzamide (PubChem CID 78821680) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxyethyl)-4-(phenylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxyethyl)-4-(phenylcarbamoylamino)benzamide
PubChem CID78821680
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-ethyl-N-(2-hydroxyethyl)-4-(phenylcarbamoylamino)benzamide
SMILESCCN(CCO)C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C18H21N3O3/c1-2-21(12-13-22)17(23)14-8-10-16(11-9-14)20-18(24)19-15-6-4-3-5-7-15/h3-11,22H,2,12-13H2,1H3,(H2,19,20,24)
InChIKeyZTOLHDSVFBDUOF-UHFFFAOYSA-N
XLogP2.79
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(2-hydroxyethyl)-4-(phenylsulfamoyl)benzamide
CID 78796066
N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-4-(phenylcarbamoylamino)benzamide
CID 55437961
4-acetamido-N,N-bis(2-hydroxyethyl)benzamide
CID 60653074
N,N-diethyl-4-[3-(N-methylanilino)propylcarbamoylamino]benzamide
CID 52594655
N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethyl-4-phenylbenzamide
CID 46558447
N-ethyl-4-(phenylcarbamoylamino)benzamide
CID 17234281
N-benzyl-N-ethyl-4-(propanoylamino)benzamide
CID 17257316
4-(chloromethyl)-N-ethyl-N-(2-hydroxyethyl)benzamide
CID 60948392
N-ethyl-N-(2-hydroxyethyl)-4-methoxybenzamide
CID 39245676
2-anilino-N-ethyl-N-(2-hydroxyethyl)acetamide
CID 60945484
N-ethyl-N-(2-hydroxyethyl)-4-methylsulfinylbenzamide
CID 78855550
3-[[4-(diethylcarbamoyl)benzoyl]-ethylamino]propanoic acid
CID 120685979

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxyethyl)-4-(phenylcarbamoylamino)benzamide?
The IUPAC name of N-ethyl-N-(2-hydroxyethyl)-4-(phenylcarbamoylamino)benzamide (CID 78821680) is N-ethyl-N-(2-hydroxyethyl)-4-(phenylcarbamoylamino)benzamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxyethyl)-4-(phenylcarbamoylamino)benzamide?
The canonical SMILES for N-ethyl-N-(2-hydroxyethyl)-4-(phenylcarbamoylamino)benzamide is CCN(CCO)C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1.
What is the InChIKey of N-ethyl-N-(2-hydroxyethyl)-4-(phenylcarbamoylamino)benzamide?
The InChIKey is ZTOLHDSVFBDUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-2-21(12-13-22)17(23)14-8-10-16(11-9-14)20-18(24)19-15-6-4-3-5-7-15/h3-11,22H,2,12-13H2,1H3,(H2,19,20,24).
What are the key properties of N-ethyl-N-(2-hydroxyethyl)-4-(phenylcarbamoylamino)benzamide?
N-ethyl-N-(2-hydroxyethyl)-4-(phenylcarbamoylamino)benzamide has a molecular weight of 327.38 g/mol, XLogP of 2.79, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxyethyl)-4-(phenylcarbamoylamino)benzamide is sourced from PubChem (CID 78821680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).