3-[acetyl(3-methoxypropyl)amino]-N-(2,6-diethylphenyl)propanamide

C19H30N2O3 — CID 113117165

IUPAC3-[acetyl(3-methoxypropyl)amino]-N-(2,6-diethylphenyl)propanamide
SMILESCCc1cccc(CC)c1NC(=O)CCN(CCCOC)C(C)=O
InChIInChI=1S/C19H30N2O3/c1-5-16-9-7-10-17(6-2)19(16)20-18(23)11-13-21(15(3)22)12-8-14-24-4/h7,9-10H,5-6,8,11-14H2,1-4H3,(H,20,23)
InChIKeyXFBJKJVUVRLRCK-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.03
Rot. Bonds10

About 3-[acetyl(3-methoxypropyl)amino]-N-(2,6-diethylphenyl)propanamide

3-[acetyl(3-methoxypropyl)amino]-N-(2,6-diethylphenyl)propanamide (PubChem CID 113117165) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 3-[acetyl(3-methoxypropyl)amino]-N-(2,6-diethylphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(3-methoxypropyl)amino]-N-(2,6-diethylphenyl)propanamide
PubChem CID113117165
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name3-[acetyl(3-methoxypropyl)amino]-N-(2,6-diethylphenyl)propanamide
SMILESCCc1cccc(CC)c1NC(=O)CCN(CCCOC)C(C)=O
InChIInChI=1S/C19H30N2O3/c1-5-16-9-7-10-17(6-2)19(16)20-18(23)11-13-21(15(3)22)12-8-14-24-4/h7,9-10H,5-6,8,11-14H2,1-4H3,(H,20,23)
InChIKeyXFBJKJVUVRLRCK-UHFFFAOYSA-N
XLogP3.03
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[acetyl(3-methoxypropyl)amino]-N-(2-ethylphenyl)propanamide
CID 113117158
3-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2,6-diethylphenyl)propanamide
CID 113117900
3-[acetyl(3-phenylpropyl)amino]-N-(2-ethyl-6-methylphenyl)propanamide
CID 113122274
methyl 2-[3-[acetyl(3-methoxypropyl)amino]propanoylamino]benzoate
CID 113117202
3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(2,6-diethylphenyl)propanamide
CID 113118645
3-[acetyl(3-methoxypropyl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 113117197
3-[acetyl(3-methoxypropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113117245
3-[acetyl(3-methoxypropyl)amino]-N-(2,4-dichlorophenyl)propanamide
CID 113117231
2-[acetyl(3-methoxypropyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 113160158
3-(N-acetylanilino)-N-(2,6-diethylphenyl)propanamide
CID 113123442
N-(2,6-diethylphenyl)-3-(dipropylamino)propanamide
CID 109033127
3-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2-ethylphenyl)propanamide
CID 113117893

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(3-methoxypropyl)amino]-N-(2,6-diethylphenyl)propanamide?
The IUPAC name of 3-[acetyl(3-methoxypropyl)amino]-N-(2,6-diethylphenyl)propanamide (CID 113117165) is 3-[acetyl(3-methoxypropyl)amino]-N-(2,6-diethylphenyl)propanamide.
What is the SMILES notation for 3-[acetyl(3-methoxypropyl)amino]-N-(2,6-diethylphenyl)propanamide?
The canonical SMILES for 3-[acetyl(3-methoxypropyl)amino]-N-(2,6-diethylphenyl)propanamide is CCc1cccc(CC)c1NC(=O)CCN(CCCOC)C(C)=O.
What is the InChIKey of 3-[acetyl(3-methoxypropyl)amino]-N-(2,6-diethylphenyl)propanamide?
The InChIKey is XFBJKJVUVRLRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-5-16-9-7-10-17(6-2)19(16)20-18(23)11-13-21(15(3)22)12-8-14-24-4/h7,9-10H,5-6,8,11-14H2,1-4H3,(H,20,23).
What are the key properties of 3-[acetyl(3-methoxypropyl)amino]-N-(2,6-diethylphenyl)propanamide?
3-[acetyl(3-methoxypropyl)amino]-N-(2,6-diethylphenyl)propanamide has a molecular weight of 334.46 g/mol, XLogP of 3.03, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(3-methoxypropyl)amino]-N-(2,6-diethylphenyl)propanamide is sourced from PubChem (CID 113117165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).