3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2-methoxy-5-methylphenyl)propanamide

C22H28N2O4 — CID 113121303

IUPAC3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2-methoxy-5-methylphenyl)propanamide
SMILESCOc1ccccc1CCN(CCC(=O)Nc1cc(C)ccc1OC)C(C)=O
InChIInChI=1S/C22H28N2O4/c1-16-9-10-21(28-4)19(15-16)23-22(26)12-14-24(17(2)25)13-11-18-7-5-6-8-20(18)27-3/h5-10,15H,11-14H2,1-4H3,(H,23,26)
InChIKeyHZELYXSPQAOZLO-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.43
Rot. Bonds9

About 3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2-methoxy-5-methylphenyl)propanamide

3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2-methoxy-5-methylphenyl)propanamide (PubChem CID 113121303) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2-methoxy-5-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2-methoxy-5-methylphenyl)propanamide
PubChem CID113121303
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2-methoxy-5-methylphenyl)propanamide
SMILESCOc1ccccc1CCN(CCC(=O)Nc1cc(C)ccc1OC)C(C)=O
InChIInChI=1S/C22H28N2O4/c1-16-9-10-21(28-4)19(15-16)23-22(26)12-14-24(17(2)25)13-11-18-7-5-6-8-20(18)27-3/h5-10,15H,11-14H2,1-4H3,(H,23,26)
InChIKeyHZELYXSPQAOZLO-UHFFFAOYSA-N
XLogP3.43
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2,5-dimethylphenyl)acetamide
CID 113164557
3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2,4-difluorophenyl)propanamide
CID 113121318
3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(3-methoxyphenyl)propanamide
CID 113121299
3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)propanamide
CID 113119822
3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(5-chloro-2-methoxyphenyl)propanamide
CID 113119813
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2-methylphenyl)acetamide
CID 113164550
3-(N-acetyl-2,6-diethylanilino)-N-(2-methoxy-5-methylphenyl)propanamide
CID 113126214
3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(4-propan-2-yloxyphenyl)propanamide
CID 113121305
3-[acetyl(propyl)amino]-N-(2-methoxyphenyl)propanamide
CID 113115042
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(4-methylphenyl)acetamide
CID 113164552
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(5-chloro-2-methoxyphenyl)propanamide
CID 113118487
3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(3,5-dimethylphenyl)propanamide
CID 113119787

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2-methoxy-5-methylphenyl)propanamide?
The IUPAC name of 3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2-methoxy-5-methylphenyl)propanamide (CID 113121303) is 3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2-methoxy-5-methylphenyl)propanamide.
What is the SMILES notation for 3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2-methoxy-5-methylphenyl)propanamide?
The canonical SMILES for 3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2-methoxy-5-methylphenyl)propanamide is COc1ccccc1CCN(CCC(=O)Nc1cc(C)ccc1OC)C(C)=O.
What is the InChIKey of 3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2-methoxy-5-methylphenyl)propanamide?
The InChIKey is HZELYXSPQAOZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-16-9-10-21(28-4)19(15-16)23-22(26)12-14-24(17(2)25)13-11-18-7-5-6-8-20(18)27-3/h5-10,15H,11-14H2,1-4H3,(H,23,26).
What are the key properties of 3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2-methoxy-5-methylphenyl)propanamide?
3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2-methoxy-5-methylphenyl)propanamide has a molecular weight of 384.48 g/mol, XLogP of 3.43, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2-methoxy-5-methylphenyl)propanamide is sourced from PubChem (CID 113121303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).