3-(diethylamino)-N-(2-ethoxyethyl)-N-(4-methylphenyl)propanamide

C18H30N2O2 — CID 58662238

IUPAC3-(diethylamino)-N-(2-ethoxyethyl)-N-(4-methylphenyl)propanamide
SMILESCCOCCN(C(=O)CCN(CC)CC)c1ccc(C)cc1
InChIInChI=1S/C18H30N2O2/c1-5-19(6-2)13-12-18(21)20(14-15-22-7-3)17-10-8-16(4)9-11-17/h8-11H,5-7,12-15H2,1-4H3
InChIKeyAFCPAUMNXHTLGJ-UHFFFAOYSA-N
MW306.45 g/mol
LogP3.10
Rot. Bonds10

About 3-(diethylamino)-N-(2-ethoxyethyl)-N-(4-methylphenyl)propanamide

3-(diethylamino)-N-(2-ethoxyethyl)-N-(4-methylphenyl)propanamide (PubChem CID 58662238) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 3-(diethylamino)-N-(2-ethoxyethyl)-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(diethylamino)-N-(2-ethoxyethyl)-N-(4-methylphenyl)propanamide
PubChem CID58662238
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name3-(diethylamino)-N-(2-ethoxyethyl)-N-(4-methylphenyl)propanamide
SMILESCCOCCN(C(=O)CCN(CC)CC)c1ccc(C)cc1
InChIInChI=1S/C18H30N2O2/c1-5-19(6-2)13-12-18(21)20(14-15-22-7-3)17-10-8-16(4)9-11-17/h8-11H,5-7,12-15H2,1-4H3
InChIKeyAFCPAUMNXHTLGJ-UHFFFAOYSA-N
XLogP3.10
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.10
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

3-(diethylamino)-N-methyl-N-(4-methylphenyl)propanamide
CID 58662059
N-ethyl-N-(4-methylphenyl)-2-propoxyacetamide
CID 113227387
2-(2-aminoethoxy)-N-ethyl-N-(4-methylphenyl)acetamide
CID 79479435
N-ethyl-N-(4-methylphenyl)-3-sulfanylpropanamide
CID 107027712
ethane;N-ethyl-N-(4-methylphenyl)acetamide
CID 143607666
N-[2-(diethylamino)ethyl]-2-ethenoxy-N-(4-methylphenyl)prop-2-enamide;ethane
CID 142925994
N'-(2-ethoxyethyl)-N'-ethyl-N-(4-methylphenyl)ethane-1,2-diamine
CID 63692696
N-[2-[2-(diethylamino)ethoxy]ethyl]-3-(4-methylphenyl)propanamide
CID 110618477
4-amino-N-(4-bromophenyl)-N-(2-butoxyethyl)butanamide
CID 119329113
ethyl 3-[2-ethoxyethyl-(3-ethoxy-3-oxopropyl)amino]propanoate
CID 151749760
2-[2-ethoxyethyl(ethyl)amino]-1-(2,4,6-trimethylphenyl)ethanone
CID 63696690
2-[2-(2-methoxyethoxy)ethoxy]-N-methyl-N-(4-methylphenyl)acetamide
CID 143038199

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-N-(2-ethoxyethyl)-N-(4-methylphenyl)propanamide?
The IUPAC name of 3-(diethylamino)-N-(2-ethoxyethyl)-N-(4-methylphenyl)propanamide (CID 58662238) is 3-(diethylamino)-N-(2-ethoxyethyl)-N-(4-methylphenyl)propanamide.
What is the SMILES notation for 3-(diethylamino)-N-(2-ethoxyethyl)-N-(4-methylphenyl)propanamide?
The canonical SMILES for 3-(diethylamino)-N-(2-ethoxyethyl)-N-(4-methylphenyl)propanamide is CCOCCN(C(=O)CCN(CC)CC)c1ccc(C)cc1.
What is the InChIKey of 3-(diethylamino)-N-(2-ethoxyethyl)-N-(4-methylphenyl)propanamide?
The InChIKey is AFCPAUMNXHTLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-5-19(6-2)13-12-18(21)20(14-15-22-7-3)17-10-8-16(4)9-11-17/h8-11H,5-7,12-15H2,1-4H3.
What are the key properties of 3-(diethylamino)-N-(2-ethoxyethyl)-N-(4-methylphenyl)propanamide?
3-(diethylamino)-N-(2-ethoxyethyl)-N-(4-methylphenyl)propanamide has a molecular weight of 306.45 g/mol, XLogP of 3.10, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-N-(2-ethoxyethyl)-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 58662238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).