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

C17H26N2O3 — CID 113160180

IUPAC2-[acetyl(3-methoxypropyl)amino]-N-ethyl-N-(3-methylphenyl)acetamide
SMILESCCN(C(=O)CN(CCCOC)C(C)=O)c1cccc(C)c1
InChIInChI=1S/C17H26N2O3/c1-5-19(16-9-6-8-14(2)12-16)17(21)13-18(15(3)20)10-7-11-22-4/h6,8-9,12H,5,7,10-11,13H2,1-4H3
InChIKeyFVAIPPVXSHXXDI-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.23
Rot. Bonds8

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

2-[acetyl(3-methoxypropyl)amino]-N-ethyl-N-(3-methylphenyl)acetamide (PubChem CID 113160180) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-[acetyl(3-methoxypropyl)amino]-N-ethyl-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl(3-methoxypropyl)amino]-N-ethyl-N-(3-methylphenyl)acetamide
PubChem CID113160180
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name2-[acetyl(3-methoxypropyl)amino]-N-ethyl-N-(3-methylphenyl)acetamide
SMILESCCN(C(=O)CN(CCCOC)C(C)=O)c1cccc(C)c1
InChIInChI=1S/C17H26N2O3/c1-5-19(16-9-6-8-14(2)12-16)17(21)13-18(15(3)20)10-7-11-22-4/h6,8-9,12H,5,7,10-11,13H2,1-4H3
InChIKeyFVAIPPVXSHXXDI-UHFFFAOYSA-N
XLogP2.23
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(N-acetyl-3-methylanilino)-N-ethyl-N-(3-methylphenyl)acetamide
CID 113167645
2-[acetyl(3-methoxypropyl)amino]-N-methyl-N-phenylacetamide
CID 113160082
1-ethyl-3-(3-methoxypropyl)-1-(3-methylphenyl)urea
CID 108988156
2-[acetyl(cyclohexyl)amino]-N-ethyl-N-(3-methylphenyl)acetamide
CID 113159596
methyl 4-[acetyl-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]amino]benzoate
CID 113176496
2-amino-N-ethyl-5-methoxy-N-(3-methylphenyl)pentanamide
CID 81088935
ethyl 4-(N-ethyl-3-methylanilino)-4-oxobutanoate
CID 60737731
2-(N-acetyl-3-methylanilino)-N,N-dipropylacetamide
CID 113167538
2-(N-acetyl-3,4-dichloroanilino)-N-ethyl-N-(3-methylphenyl)acetamide
CID 113179532
2-[acetyl(3-methoxypropyl)amino]-N-butyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 4286427
3-(N-acetyl-2,4-dimethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113124282
3-(N-acetyl-4-chloroanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113127504

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(3-methoxypropyl)amino]-N-ethyl-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[acetyl(3-methoxypropyl)amino]-N-ethyl-N-(3-methylphenyl)acetamide (CID 113160180) is 2-[acetyl(3-methoxypropyl)amino]-N-ethyl-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[acetyl(3-methoxypropyl)amino]-N-ethyl-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[acetyl(3-methoxypropyl)amino]-N-ethyl-N-(3-methylphenyl)acetamide is CCN(C(=O)CN(CCCOC)C(C)=O)c1cccc(C)c1.
What is the InChIKey of 2-[acetyl(3-methoxypropyl)amino]-N-ethyl-N-(3-methylphenyl)acetamide?
The InChIKey is FVAIPPVXSHXXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-5-19(16-9-6-8-14(2)12-16)17(21)13-18(15(3)20)10-7-11-22-4/h6,8-9,12H,5,7,10-11,13H2,1-4H3.
What are the key properties of 2-[acetyl(3-methoxypropyl)amino]-N-ethyl-N-(3-methylphenyl)acetamide?
2-[acetyl(3-methoxypropyl)amino]-N-ethyl-N-(3-methylphenyl)acetamide has a molecular weight of 306.41 g/mol, XLogP of 2.23, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(3-methoxypropyl)amino]-N-ethyl-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 113160180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).