N-cyclopropyl-2-[3-(4-ethoxyphenoxy)propanoylamino]benzamide

C21H24N2O4 — CID 26906057

IUPACN-cyclopropyl-2-[3-(4-ethoxyphenoxy)propanoylamino]benzamide
SMILESCCOc1ccc(OCCC(=O)Nc2ccccc2C(=O)NC2CC2)cc1
InChIInChI=1S/C21H24N2O4/c1-2-26-16-9-11-17(12-10-16)27-14-13-20(24)23-19-6-4-3-5-18(19)21(25)22-15-7-8-15/h3-6,9-12,15H,2,7-8,13-14H2,1H3,(H,22,25)(H,23,24)
InChIKeyYTADWJLELDBCNB-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.39
Rot. Bonds9

About N-cyclopropyl-2-[3-(4-ethoxyphenoxy)propanoylamino]benzamide

N-cyclopropyl-2-[3-(4-ethoxyphenoxy)propanoylamino]benzamide (PubChem CID 26906057) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is N-cyclopropyl-2-[3-(4-ethoxyphenoxy)propanoylamino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[3-(4-ethoxyphenoxy)propanoylamino]benzamide
PubChem CID26906057
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC NameN-cyclopropyl-2-[3-(4-ethoxyphenoxy)propanoylamino]benzamide
SMILESCCOc1ccc(OCCC(=O)Nc2ccccc2C(=O)NC2CC2)cc1
InChIInChI=1S/C21H24N2O4/c1-2-26-16-9-11-17(12-10-16)27-14-13-20(24)23-19-6-4-3-5-18(19)21(25)22-15-7-8-15/h3-6,9-12,15H,2,7-8,13-14H2,1H3,(H,22,25)(H,23,24)
InChIKeyYTADWJLELDBCNB-UHFFFAOYSA-N
XLogP3.39
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-(3-phenoxypropanoylamino)benzamide
CID 26906047
N-cyclopropyl-2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]benzamide
CID 34279951
N-cyclopropyl-2-[3-[2-(4-fluorophenoxy)ethyl-methylamino]propanoylamino]benzamide
CID 24589340
2-(butanoylamino)-N-cyclopropylbenzamide
CID 31824279
N-cyclopropyl-2-[[2-(4-ethylphenoxy)acetyl]amino]benzamide
CID 26906049
N-cyclopentyl-2-[[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]benzamide
CID 46615258
N-cyclohexyl-2-[(4-ethoxybenzoyl)carbamothioylamino]benzamide
CID 4948989
N-cyclohexyl-2-[[2-(4-methylphenoxy)acetyl]amino]benzamide
CID 1226844
N-cyclopropyl-2-[3-(propan-2-ylamino)propanoylamino]benzamide
CID 60854322
N-cyclopentyl-2-[[2-(4-propanoylphenoxy)acetyl]amino]benzamide
CID 26084463
N-cyclopropyl-2-[3-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]propanoylamino]benzamide
CID 24589094
N-cyclohexyl-2-(dodecanoylamino)benzamide
CID 25137451

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[3-(4-ethoxyphenoxy)propanoylamino]benzamide?
The IUPAC name of N-cyclopropyl-2-[3-(4-ethoxyphenoxy)propanoylamino]benzamide (CID 26906057) is N-cyclopropyl-2-[3-(4-ethoxyphenoxy)propanoylamino]benzamide.
What is the SMILES notation for N-cyclopropyl-2-[3-(4-ethoxyphenoxy)propanoylamino]benzamide?
The canonical SMILES for N-cyclopropyl-2-[3-(4-ethoxyphenoxy)propanoylamino]benzamide is CCOc1ccc(OCCC(=O)Nc2ccccc2C(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-2-[3-(4-ethoxyphenoxy)propanoylamino]benzamide?
The InChIKey is YTADWJLELDBCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-2-26-16-9-11-17(12-10-16)27-14-13-20(24)23-19-6-4-3-5-18(19)21(25)22-15-7-8-15/h3-6,9-12,15H,2,7-8,13-14H2,1H3,(H,22,25)(H,23,24).
What are the key properties of N-cyclopropyl-2-[3-(4-ethoxyphenoxy)propanoylamino]benzamide?
N-cyclopropyl-2-[3-(4-ethoxyphenoxy)propanoylamino]benzamide has a molecular weight of 368.43 g/mol, XLogP of 3.39, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[3-(4-ethoxyphenoxy)propanoylamino]benzamide is sourced from PubChem (CID 26906057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).