3-(4-methylanilino)-N-(2-phenoxyphenyl)propanamide

C22H22N2O2 — CID 109034509

IUPAC3-(4-methylanilino)-N-(2-phenoxyphenyl)propanamide
SMILESCc1ccc(NCCC(=O)Nc2ccccc2Oc2ccccc2)cc1
InChIInChI=1S/C22H22N2O2/c1-17-11-13-18(14-12-17)23-16-15-22(25)24-20-9-5-6-10-21(20)26-19-7-3-2-4-8-19/h2-14,23H,15-16H2,1H3,(H,24,25)
InChIKeyBUJBSFNLXPWWNH-UHFFFAOYSA-N
MW346.43 g/mol
LogP5.23
Rot. Bonds7

About 3-(4-methylanilino)-N-(2-phenoxyphenyl)propanamide

3-(4-methylanilino)-N-(2-phenoxyphenyl)propanamide (PubChem CID 109034509) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 3-(4-methylanilino)-N-(2-phenoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(4-methylanilino)-N-(2-phenoxyphenyl)propanamide
PubChem CID109034509
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name3-(4-methylanilino)-N-(2-phenoxyphenyl)propanamide
SMILESCc1ccc(NCCC(=O)Nc2ccccc2Oc2ccccc2)cc1
InChIInChI=1S/C22H22N2O2/c1-17-11-13-18(14-12-17)23-16-15-22(25)24-20-9-5-6-10-21(20)26-19-7-3-2-4-8-19/h2-14,23H,15-16H2,1H3,(H,24,25)
InChIKeyBUJBSFNLXPWWNH-UHFFFAOYSA-N
XLogP5.23
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.43
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-[2-(4-methylphenoxy)phenyl]propanamide
CID 38505087
N'-(4-methylphenyl)-N-[2-oxo-2-(2-phenoxyanilino)ethyl]oxamide
CID 17489902
N-(2-phenoxyphenyl)-3-(propan-2-ylamino)propanamide
CID 109011722
2-(4-ethylanilino)-N-(2-phenoxyphenyl)acetamide
CID 109007685
N-(2-methoxyphenyl)-2-(2-phenoxyanilino)acetamide
CID 7922855
N-(3-methoxyphenyl)-3-(4-methylanilino)propanamide
CID 109034467
3-(4-bromoanilino)-N-(2-methoxyphenyl)propanamide
CID 109039232
N-(2-phenoxyphenyl)decanamide
CID 4091110
N-(4-methoxyphenyl)-3-(4-phenoxyanilino)propanamide
CID 109039635
3-(2-phenoxyanilino)-N-propylpropanamide
CID 109011455
3-(4-methoxyanilino)-N-(4-phenoxyphenyl)propanamide
CID 109039699
2-(4-fluorophenoxy)-N-[2-(4-methylphenoxy)phenyl]acetamide
CID 24681386

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylanilino)-N-(2-phenoxyphenyl)propanamide?
The IUPAC name of 3-(4-methylanilino)-N-(2-phenoxyphenyl)propanamide (CID 109034509) is 3-(4-methylanilino)-N-(2-phenoxyphenyl)propanamide.
What is the SMILES notation for 3-(4-methylanilino)-N-(2-phenoxyphenyl)propanamide?
The canonical SMILES for 3-(4-methylanilino)-N-(2-phenoxyphenyl)propanamide is Cc1ccc(NCCC(=O)Nc2ccccc2Oc2ccccc2)cc1.
What is the InChIKey of 3-(4-methylanilino)-N-(2-phenoxyphenyl)propanamide?
The InChIKey is BUJBSFNLXPWWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-17-11-13-18(14-12-17)23-16-15-22(25)24-20-9-5-6-10-21(20)26-19-7-3-2-4-8-19/h2-14,23H,15-16H2,1H3,(H,24,25).
What are the key properties of 3-(4-methylanilino)-N-(2-phenoxyphenyl)propanamide?
3-(4-methylanilino)-N-(2-phenoxyphenyl)propanamide has a molecular weight of 346.43 g/mol, XLogP of 5.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylanilino)-N-(2-phenoxyphenyl)propanamide is sourced from PubChem (CID 109034509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).