N-[2-[2-(diethylamino)ethoxy]ethyl]-3-phenoxypropanamide

C17H28N2O3 — CID 110425077

IUPACN-[2-[2-(diethylamino)ethoxy]ethyl]-3-phenoxypropanamide
SMILESCCN(CC)CCOCCNC(=O)CCOc1ccccc1
InChIInChI=1S/C17H28N2O3/c1-3-19(4-2)12-15-21-14-11-18-17(20)10-13-22-16-8-6-5-7-9-16/h5-9H,3-4,10-15H2,1-2H3,(H,18,20)
InChIKeyJGBVKDPJKMGCHT-UHFFFAOYSA-N
MW308.42 g/mol
LogP1.93
Rot. Bonds12

About N-[2-[2-(diethylamino)ethoxy]ethyl]-3-phenoxypropanamide

N-[2-[2-(diethylamino)ethoxy]ethyl]-3-phenoxypropanamide (PubChem CID 110425077) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is N-[2-[2-(diethylamino)ethoxy]ethyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[2-[2-(diethylamino)ethoxy]ethyl]-3-phenoxypropanamide
PubChem CID110425077
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC NameN-[2-[2-(diethylamino)ethoxy]ethyl]-3-phenoxypropanamide
SMILESCCN(CC)CCOCCNC(=O)CCOc1ccccc1
InChIInChI=1S/C17H28N2O3/c1-3-19(4-2)12-15-21-14-11-18-17(20)10-13-22-16-8-6-5-7-9-16/h5-9H,3-4,10-15H2,1-2H3,(H,18,20)
InChIKeyJGBVKDPJKMGCHT-UHFFFAOYSA-N
XLogP1.93
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 51.93
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

N-[2-(2-hydroxyethoxy)ethyl]-3-phenoxypropanamide
CID 60654485
N-[2-[2-(diethylamino)ethoxy]ethyl]-4-methyl-4-phenylpentanamide
CID 110425742
3-(benzenesulfonyl)-N-[2-[2-(diethylamino)ethoxy]ethyl]propanamide
CID 110618471
2-(diethylamino)-N-(2-phenoxyethyl)acetamide;hydrochloride
CID 3060147
N-(2-acetamidoethyl)-3-phenoxypropanamide
CID 46684252
1-[2-[2-(diethylamino)ethoxy]ethyl]-3-phenylurea
CID 110425086
N-[2-[2-(diethylamino)ethoxy]ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 75456489
N-[2-[2-(diethylamino)ethoxy]ethyl]-3-(4-methylphenyl)propanamide
CID 110618477
N-[2-(ethylamino)ethyl]-3-phenoxypropanamide;hydrochloride
CID 119506555
3-phenoxy-N-[2-(propylamino)ethyl]propanamide
CID 62658597
N-[2-[2-(diethylamino)ethoxy]ethyl]-4-pyridin-3-ylbutanamide
CID 110612739
N-[2-[2-(diethylamino)ethoxy]ethyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 110618521

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(diethylamino)ethoxy]ethyl]-3-phenoxypropanamide?
The IUPAC name of N-[2-[2-(diethylamino)ethoxy]ethyl]-3-phenoxypropanamide (CID 110425077) is N-[2-[2-(diethylamino)ethoxy]ethyl]-3-phenoxypropanamide.
What is the SMILES notation for N-[2-[2-(diethylamino)ethoxy]ethyl]-3-phenoxypropanamide?
The canonical SMILES for N-[2-[2-(diethylamino)ethoxy]ethyl]-3-phenoxypropanamide is CCN(CC)CCOCCNC(=O)CCOc1ccccc1.
What is the InChIKey of N-[2-[2-(diethylamino)ethoxy]ethyl]-3-phenoxypropanamide?
The InChIKey is JGBVKDPJKMGCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-3-19(4-2)12-15-21-14-11-18-17(20)10-13-22-16-8-6-5-7-9-16/h5-9H,3-4,10-15H2,1-2H3,(H,18,20).
What are the key properties of N-[2-[2-(diethylamino)ethoxy]ethyl]-3-phenoxypropanamide?
N-[2-[2-(diethylamino)ethoxy]ethyl]-3-phenoxypropanamide has a molecular weight of 308.42 g/mol, XLogP of 1.93, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(diethylamino)ethoxy]ethyl]-3-phenoxypropanamide is sourced from PubChem (CID 110425077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).