N-cyclopropyl-2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]benzamide

C22H24N2O4 — CID 34279951

IUPACN-cyclopropyl-2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]benzamide
SMILESCCOc1ccc(C(=O)CCC(=O)Nc2ccccc2C(=O)NC2CC2)cc1
InChIInChI=1S/C22H24N2O4/c1-2-28-17-11-7-15(8-12-17)20(25)13-14-21(26)24-19-6-4-3-5-18(19)22(27)23-16-9-10-16/h3-8,11-12,16H,2,9-10,13-14H2,1H3,(H,23,27)(H,24,26)
InChIKeyHULOFVSHDYQNLE-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.58
Rot. Bonds9

About N-cyclopropyl-2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]benzamide

N-cyclopropyl-2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]benzamide (PubChem CID 34279951) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is N-cyclopropyl-2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]benzamide
PubChem CID34279951
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC NameN-cyclopropyl-2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]benzamide
SMILESCCOc1ccc(C(=O)CCC(=O)Nc2ccccc2C(=O)NC2CC2)cc1
InChIInChI=1S/C22H24N2O4/c1-2-28-17-11-7-15(8-12-17)20(25)13-14-21(26)24-19-6-4-3-5-18(19)22(27)23-16-9-10-16/h3-8,11-12,16H,2,9-10,13-14H2,1H3,(H,23,27)(H,24,26)
InChIKeyHULOFVSHDYQNLE-UHFFFAOYSA-N
XLogP3.58
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[3-(4-ethoxyphenoxy)propanoylamino]benzamide
CID 26906057
2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-N-methylbenzamide
CID 34752830
N-cyclopropyl-2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide
CID 34279897
N-cyclopentyl-2-[[2-(4-propanoylphenoxy)acetyl]amino]benzamide
CID 26084463
2-(butanoylamino)-N-cyclopropylbenzamide
CID 31824279
N-cyclopropyl-2-(3-phenoxypropanoylamino)benzamide
CID 26906047
4-(4-ethoxyphenyl)-N-(2-methylphenyl)-4-oxobutanamide
CID 880605
4-(4-ethoxyphenyl)-N-naphthalen-1-yl-4-oxobutanamide
CID 880449
N-cyclohexyl-2-[(4-ethoxybenzoyl)carbamothioylamino]benzamide
CID 4948989
N-cyclopropyl-2-[[2-(4-ethylphenoxy)acetyl]amino]benzamide
CID 26906049
N-cyclopropyl-2-[3-[2-(4-fluorophenoxy)ethyl-methylamino]propanoylamino]benzamide
CID 24589340
N-cyclopentyl-2-[[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]benzamide
CID 46615258

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]benzamide (CID 34279951) is N-cyclopropyl-2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]benzamide is CCOc1ccc(C(=O)CCC(=O)Nc2ccccc2C(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]benzamide?
The InChIKey is HULOFVSHDYQNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-2-28-17-11-7-15(8-12-17)20(25)13-14-21(26)24-19-6-4-3-5-18(19)22(27)23-16-9-10-16/h3-8,11-12,16H,2,9-10,13-14H2,1H3,(H,23,27)(H,24,26).
What are the key properties of N-cyclopropyl-2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]benzamide?
N-cyclopropyl-2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]benzamide has a molecular weight of 380.44 g/mol, XLogP of 3.58, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]benzamide is sourced from PubChem (CID 34279951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).