2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2-propan-2-yloxyphenyl)acetamide

C21H26N2O4 — CID 113162972

IUPAC2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2-propan-2-yloxyphenyl)acetamide
SMILESCOc1ccccc1CN(CC(=O)Nc1ccccc1OC(C)C)C(C)=O
InChIInChI=1S/C21H26N2O4/c1-15(2)27-20-12-8-6-10-18(20)22-21(25)14-23(16(3)24)13-17-9-5-7-11-19(17)26-4/h5-12,15H,13-14H2,1-4H3,(H,22,25)
InChIKeyIEQATUJMWRRRIN-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.47
Rot. Bonds8

About 2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2-propan-2-yloxyphenyl)acetamide

2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2-propan-2-yloxyphenyl)acetamide (PubChem CID 113162972) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2-propan-2-yloxyphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2-propan-2-yloxyphenyl)acetamide
PubChem CID113162972
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2-propan-2-yloxyphenyl)acetamide
SMILESCOc1ccccc1CN(CC(=O)Nc1ccccc1OC(C)C)C(C)=O
InChIInChI=1S/C21H26N2O4/c1-15(2)27-20-12-8-6-10-18(20)22-21(25)14-23(16(3)24)13-17-9-5-7-11-19(17)26-4/h5-12,15H,13-14H2,1-4H3,(H,22,25)
InChIKeyIEQATUJMWRRRIN-UHFFFAOYSA-N
XLogP3.47
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 113164592
2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2-chlorophenyl)acetamide
CID 113162954
2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2,5-dimethylphenyl)acetamide
CID 113162936
2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 113163015
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(2-propan-2-yloxyphenyl)propanamide
CID 113118495
2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(4-fluorophenyl)acetamide
CID 113162953
N-(2-methoxyphenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108955532
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2-methylphenyl)acetamide
CID 113164550
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(2-methoxyphenyl)acetamide
CID 113163139
2-[acetyl(prop-2-enyl)amino]-N-(2-methoxyphenyl)acetamide
CID 84571235
2-[acetyl-[(2-methoxyphenyl)methyl]amino]acetic acid
CID 82044282
2-[2-(2-methoxyphenyl)ethylamino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 109000681

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2-propan-2-yloxyphenyl)acetamide?
The IUPAC name of 2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2-propan-2-yloxyphenyl)acetamide (CID 113162972) is 2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2-propan-2-yloxyphenyl)acetamide.
What is the SMILES notation for 2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2-propan-2-yloxyphenyl)acetamide?
The canonical SMILES for 2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2-propan-2-yloxyphenyl)acetamide is COc1ccccc1CN(CC(=O)Nc1ccccc1OC(C)C)C(C)=O.
What is the InChIKey of 2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2-propan-2-yloxyphenyl)acetamide?
The InChIKey is IEQATUJMWRRRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-15(2)27-20-12-8-6-10-18(20)22-21(25)14-23(16(3)24)13-17-9-5-7-11-19(17)26-4/h5-12,15H,13-14H2,1-4H3,(H,22,25).
What are the key properties of 2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2-propan-2-yloxyphenyl)acetamide?
2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2-propan-2-yloxyphenyl)acetamide has a molecular weight of 370.45 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2-propan-2-yloxyphenyl)acetamide is sourced from PubChem (CID 113162972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).