3-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-(2-phenylphenyl)propanamide

C26H29N3O3 — CID 24588963

IUPAC3-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-(2-phenylphenyl)propanamide
SMILESCCN(CCC(=O)Nc1ccccc1-c1ccccc1)CC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C26H29N3O3/c1-3-29(19-26(31)27-21-13-15-22(32-2)16-14-21)18-17-25(30)28-24-12-8-7-11-23(24)20-9-5-4-6-10-20/h4-16H,3,17-19H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyCZCWVPICHQASBW-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.65
Rot. Bonds10

About 3-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-(2-phenylphenyl)propanamide

3-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-(2-phenylphenyl)propanamide (PubChem CID 24588963) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is 3-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-(2-phenylphenyl)propanamide.

Molecular Properties

Compound Name3-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-(2-phenylphenyl)propanamide
PubChem CID24588963
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC Name3-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-(2-phenylphenyl)propanamide
SMILESCCN(CCC(=O)Nc1ccccc1-c1ccccc1)CC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C26H29N3O3/c1-3-29(19-26(31)27-21-13-15-22(32-2)16-14-21)18-17-25(30)28-24-12-8-7-11-23(24)20-9-5-4-6-10-20/h4-16H,3,17-19H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyCZCWVPICHQASBW-UHFFFAOYSA-N
XLogP4.65
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl(2-hydroxyethyl)amino]-N-(2-phenylphenyl)acetamide
CID 31993666
3-[ethyl(2-methylprop-2-enyl)amino]-N-(2-phenylphenyl)propanamide
CID 78830866
2-[ethyl-[2-(2-ethylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)acetamide
CID 9027158
N-(4-methoxyphenyl)-2-[2-oxo-2-(2-phenylanilino)ethyl]sulfinylacetamide
CID 1462946
2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-N-(2-phenylphenyl)acetamide
CID 4882753
2-[[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-ethylamino]-N-(4-methoxyphenyl)acetamide
CID 18133397
2-[ethyl-[(2-phenyl-1,3-oxazol-4-yl)methyl]amino]-N-(4-methoxyphenyl)acetamide
CID 17465917
2-(dipropylamino)-N-(4-methoxyphenyl)acetamide
CID 54817180
3-[[2-(4-ethoxyanilino)-2-oxoethyl]-ethylamino]propanoic acid
CID 61011178
3-[(3-anilino-3-oxopropyl)-ethylamino]-N-phenylpropanamide
CID 171553811
3-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-N-(2-methylsulfanylphenyl)propanamide
CID 55482070
2-[bis(3-hydroxypropyl)amino]-N-(4-methoxyphenyl)acetamide
CID 18870810

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-(2-phenylphenyl)propanamide?
The IUPAC name of 3-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-(2-phenylphenyl)propanamide (CID 24588963) is 3-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-(2-phenylphenyl)propanamide.
What is the SMILES notation for 3-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-(2-phenylphenyl)propanamide?
The canonical SMILES for 3-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-(2-phenylphenyl)propanamide is CCN(CCC(=O)Nc1ccccc1-c1ccccc1)CC(=O)Nc1ccc(OC)cc1.
What is the InChIKey of 3-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-(2-phenylphenyl)propanamide?
The InChIKey is CZCWVPICHQASBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-3-29(19-26(31)27-21-13-15-22(32-2)16-14-21)18-17-25(30)28-24-12-8-7-11-23(24)20-9-5-4-6-10-20/h4-16H,3,17-19H2,1-2H3,(H,27,31)(H,28,30).
What are the key properties of 3-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-(2-phenylphenyl)propanamide?
3-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-(2-phenylphenyl)propanamide has a molecular weight of 431.54 g/mol, XLogP of 4.65, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-(2-phenylphenyl)propanamide is sourced from PubChem (CID 24588963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).