2-[acetyl(3-methoxypropyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide

C16H24N2O4 — CID 113160122

IUPAC2-[acetyl(3-methoxypropyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOCCCN(CC(=O)Nc1cc(C)ccc1OC)C(C)=O
InChIInChI=1S/C16H24N2O4/c1-12-6-7-15(22-4)14(10-12)17-16(20)11-18(13(2)19)8-5-9-21-3/h6-7,10H,5,8-9,11H2,1-4H3,(H,17,20)
InChIKeyKLEZWSIKWDKERR-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.83
Rot. Bonds8

About 2-[acetyl(3-methoxypropyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide

2-[acetyl(3-methoxypropyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide (PubChem CID 113160122) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-[acetyl(3-methoxypropyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl(3-methoxypropyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide
PubChem CID113160122
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name2-[acetyl(3-methoxypropyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOCCCN(CC(=O)Nc1cc(C)ccc1OC)C(C)=O
InChIInChI=1S/C16H24N2O4/c1-12-6-7-15(22-4)14(10-12)17-16(20)11-18(13(2)19)8-5-9-21-3/h6-7,10H,5,8-9,11H2,1-4H3,(H,17,20)
InChIKeyKLEZWSIKWDKERR-UHFFFAOYSA-N
XLogP1.83
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[acetyl(3-methylbutyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 113166585
2-[acetyl(benzyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 113161291
2-[acetyl(2-methoxyethyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 113159978
2-[acetyl(oxolan-2-ylmethyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 113160319
2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2,5-dimethylphenyl)acetamide
CID 113160861
N,N'-bis(2-methoxy-5-methylphenyl)pentanediamide
CID 5142107
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2,5-dimethoxyphenyl)acetamide
CID 113160520
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2,5-dimethylphenyl)acetamide
CID 113164557
2-[acetyl(pentyl)amino]-N-(2,5-dimethylphenyl)acetamide
CID 113166745
2-[acetyl(3-methoxypropyl)amino]-N-(3-methoxyphenyl)acetamide
CID 113160118
2-[acetyl(3-methoxypropyl)amino]-N-(3-bromo-4-methylphenyl)acetamide
CID 113160116
1,1-dibutyl-3-(2-methoxy-5-methylphenyl)urea
CID 5047636

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(3-methoxypropyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of 2-[acetyl(3-methoxypropyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide (CID 113160122) is 2-[acetyl(3-methoxypropyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-[acetyl(3-methoxypropyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-[acetyl(3-methoxypropyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide is COCCCN(CC(=O)Nc1cc(C)ccc1OC)C(C)=O.
What is the InChIKey of 2-[acetyl(3-methoxypropyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide?
The InChIKey is KLEZWSIKWDKERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-12-6-7-15(22-4)14(10-12)17-16(20)11-18(13(2)19)8-5-9-21-3/h6-7,10H,5,8-9,11H2,1-4H3,(H,17,20).
What are the key properties of 2-[acetyl(3-methoxypropyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide?
2-[acetyl(3-methoxypropyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide has a molecular weight of 308.38 g/mol, XLogP of 1.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(3-methoxypropyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 113160122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).