N-ethyl-N-(2-hydroxyethyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide

C16H22N2O3 — CID 78866235

IUPACN-ethyl-N-(2-hydroxyethyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
SMILESCCN(CCO)C(=O)c1cccc(NC(=O)C2CC2C)c1
InChIInChI=1S/C16H22N2O3/c1-3-18(7-8-19)16(21)12-5-4-6-13(10-12)17-15(20)14-9-11(14)2/h4-6,10-11,14,19H,3,7-9H2,1-2H3,(H,17,20)
InChIKeyWKKKVYWMFNCLEC-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.74
Rot. Bonds6

About N-ethyl-N-(2-hydroxyethyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide

N-ethyl-N-(2-hydroxyethyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide (PubChem CID 78866235) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxyethyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxyethyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
PubChem CID78866235
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-ethyl-N-(2-hydroxyethyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
SMILESCCN(CCO)C(=O)c1cccc(NC(=O)C2CC2C)c1
InChIInChI=1S/C16H22N2O3/c1-3-18(7-8-19)16(21)12-5-4-6-13(10-12)17-15(20)14-9-11(14)2/h4-6,10-11,14,19H,3,7-9H2,1-2H3,(H,17,20)
InChIKeyWKKKVYWMFNCLEC-UHFFFAOYSA-N
XLogP1.74
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[ethyl-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]propanoic acid
CID 119190959
2-[methyl-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]acetic acid
CID 119136391
trans-(1R,2R)-N-(3-acetylphenyl)-2-methylcyclopropane-1-carboxamide
CID 2111342
1-N,4-N-bis[3-(diethylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17195088
3-[(3-aminocyclopentanecarbonyl)amino]-N,N-diethylbenzamide
CID 119685393
N-[3-(diethylcarbamoyl)phenyl]oxane-4-carboxamide
CID 31973447
3-[(2-methylcyclopropanecarbonyl)amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 51318010
3-[(3-aminocyclopentanecarbonyl)amino]-N,N-diethylbenzamide;hydrochloride
CID 119685392
methyl 3-[[2-(diethylcarbamoyl)cyclopropanecarbonyl]amino]benzoate
CID 109139360
1-[methyl-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]cyclohexane-1-carboxylic acid
CID 120539430
3-(cyclopropylcarbamothioylamino)-N,N-diethylbenzamide
CID 8629357
N-[3-(methylamino)propyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide;hydrochloride
CID 119432738

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxyethyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide?
The IUPAC name of N-ethyl-N-(2-hydroxyethyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide (CID 78866235) is N-ethyl-N-(2-hydroxyethyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxyethyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide?
The canonical SMILES for N-ethyl-N-(2-hydroxyethyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide is CCN(CCO)C(=O)c1cccc(NC(=O)C2CC2C)c1.
What is the InChIKey of N-ethyl-N-(2-hydroxyethyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide?
The InChIKey is WKKKVYWMFNCLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-3-18(7-8-19)16(21)12-5-4-6-13(10-12)17-15(20)14-9-11(14)2/h4-6,10-11,14,19H,3,7-9H2,1-2H3,(H,17,20).
What are the key properties of N-ethyl-N-(2-hydroxyethyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide?
N-ethyl-N-(2-hydroxyethyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide has a molecular weight of 290.36 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxyethyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide is sourced from PubChem (CID 78866235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).