N-[2-[2-(diethylamino)ethoxy]ethyl]-3-(4-methylphenyl)propanamide

C18H30N2O2 — CID 110618477

IUPACN-[2-[2-(diethylamino)ethoxy]ethyl]-3-(4-methylphenyl)propanamide
SMILESCCN(CC)CCOCCNC(=O)CCc1ccc(C)cc1
InChIInChI=1S/C18H30N2O2/c1-4-20(5-2)13-15-22-14-12-19-18(21)11-10-17-8-6-16(3)7-9-17/h6-9H,4-5,10-15H2,1-3H3,(H,19,21)
InChIKeyDKWLMDSKVAJHOU-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.40
Rot. Bonds11

About N-[2-[2-(diethylamino)ethoxy]ethyl]-3-(4-methylphenyl)propanamide

N-[2-[2-(diethylamino)ethoxy]ethyl]-3-(4-methylphenyl)propanamide (PubChem CID 110618477) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is N-[2-[2-(diethylamino)ethoxy]ethyl]-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[2-[2-(diethylamino)ethoxy]ethyl]-3-(4-methylphenyl)propanamide
PubChem CID110618477
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC NameN-[2-[2-(diethylamino)ethoxy]ethyl]-3-(4-methylphenyl)propanamide
SMILESCCN(CC)CCOCCNC(=O)CCc1ccc(C)cc1
InChIInChI=1S/C18H30N2O2/c1-4-20(5-2)13-15-22-14-12-19-18(21)11-10-17-8-6-16(3)7-9-17/h6-9H,4-5,10-15H2,1-3H3,(H,19,21)
InChIKeyDKWLMDSKVAJHOU-UHFFFAOYSA-N
XLogP2.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.40
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

N-(2-methoxyethyl)-3-(4-methylphenyl)propanamide
CID 19220427
N-[2-[2-(diethylamino)ethoxy]ethyl]-3-phenoxypropanamide
CID 110425077
N-[2-(2-aminoethoxy)ethyl]-4-(4-methylphenyl)butanamide
CID 82354281
N-[2-[2-(diethylamino)ethoxy]ethyl]-4-pyridin-3-ylbutanamide
CID 110612739
N-[3-(dimethylamino)propyl]-3-(4-methylphenyl)propanamide
CID 110755343
N-[2-[2-(diethylamino)ethoxy]ethyl]-4-methyl-4-phenylpentanamide
CID 110425742
3-(benzenesulfonyl)-N-[2-[2-(diethylamino)ethoxy]ethyl]propanamide
CID 110618471
N-[2-[2-(diethylamino)ethoxy]ethyl]-3-methylsulfonylpropanamide
CID 110612720
N-[2-(dimethylcarbamoylamino)ethyl]-3-(4-methylphenyl)propanamide
CID 108574246
N-[2-(4-aminophenoxy)ethyl]-3-(4-methylphenyl)propanamide
CID 84816880
N-[2-[2-(diethylamino)ethoxy]ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 75456489
N-[2-[2-[2-[2-[2-[2-[2-[2-(4-amino-3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(4-methylphenyl)butanamide
CID 177194400

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(diethylamino)ethoxy]ethyl]-3-(4-methylphenyl)propanamide?
The IUPAC name of N-[2-[2-(diethylamino)ethoxy]ethyl]-3-(4-methylphenyl)propanamide (CID 110618477) is N-[2-[2-(diethylamino)ethoxy]ethyl]-3-(4-methylphenyl)propanamide.
What is the SMILES notation for N-[2-[2-(diethylamino)ethoxy]ethyl]-3-(4-methylphenyl)propanamide?
The canonical SMILES for N-[2-[2-(diethylamino)ethoxy]ethyl]-3-(4-methylphenyl)propanamide is CCN(CC)CCOCCNC(=O)CCc1ccc(C)cc1.
What is the InChIKey of N-[2-[2-(diethylamino)ethoxy]ethyl]-3-(4-methylphenyl)propanamide?
The InChIKey is DKWLMDSKVAJHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-4-20(5-2)13-15-22-14-12-19-18(21)11-10-17-8-6-16(3)7-9-17/h6-9H,4-5,10-15H2,1-3H3,(H,19,21).
What are the key properties of N-[2-[2-(diethylamino)ethoxy]ethyl]-3-(4-methylphenyl)propanamide?
N-[2-[2-(diethylamino)ethoxy]ethyl]-3-(4-methylphenyl)propanamide has a molecular weight of 306.45 g/mol, XLogP of 2.40, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(diethylamino)ethoxy]ethyl]-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 110618477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).