3-(2-ethoxyphenyl)-N-ethyl-N-(3-hydroxypropyl)propanamide

C16H25NO3 — CID 115771921

IUPAC3-(2-ethoxyphenyl)-N-ethyl-N-(3-hydroxypropyl)propanamide
SMILESCCOc1ccccc1CCC(=O)N(CC)CCCO
InChIInChI=1S/C16H25NO3/c1-3-17(12-7-13-18)16(19)11-10-14-8-5-6-9-15(14)20-4-2/h5-6,8-9,18H,3-4,7,10-13H2,1-2H3
InChIKeyIECDCTFDUHUOJL-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.25
Rot. Bonds9

About 3-(2-ethoxyphenyl)-N-ethyl-N-(3-hydroxypropyl)propanamide

3-(2-ethoxyphenyl)-N-ethyl-N-(3-hydroxypropyl)propanamide (PubChem CID 115771921) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-(2-ethoxyphenyl)-N-ethyl-N-(3-hydroxypropyl)propanamide.

Molecular Properties

Compound Name3-(2-ethoxyphenyl)-N-ethyl-N-(3-hydroxypropyl)propanamide
PubChem CID115771921
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name3-(2-ethoxyphenyl)-N-ethyl-N-(3-hydroxypropyl)propanamide
SMILESCCOc1ccccc1CCC(=O)N(CC)CCCO
InChIInChI=1S/C16H25NO3/c1-3-17(12-7-13-18)16(19)11-10-14-8-5-6-9-15(14)20-4-2/h5-6,8-9,18H,3-4,7,10-13H2,1-2H3
InChIKeyIECDCTFDUHUOJL-UHFFFAOYSA-N
XLogP2.25
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(3-hydroxypropyl)-4-phenylbutanamide
CID 115772082
3-(2,3-dimethylphenoxy)-N-ethyl-N-(3-hydroxypropyl)propanamide
CID 115771469
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(2-ethoxyphenyl)-N-ethylpropanamide
CID 31713240
N-[(2-ethoxyphenyl)methyl]-4-hydroxy-N-methylbutanamide
CID 79200511
3-(2,4-dichlorophenyl)-N-ethyl-N-(3-hydroxypropyl)propanamide
CID 115771344
3-[(2-ethoxyphenyl)methylamino]-N,N-diethylpropanamide
CID 60925933
N-(3-bromopropyl)-N-ethyl-3-(2-methylphenyl)propanamide
CID 113469201
(2-ethoxyphenyl) 3-(2-ethoxyphenyl)propanoate
CID 176892707
3-(2,6-dimethylphenoxy)-N-ethyl-N-(3-hydroxypropyl)propanamide
CID 115772075
butyl 3-(2-ethoxyphenyl)propanoate
CID 113221188
N-ethyl-N-(3-hydroxypropyl)-2-(2-nitrophenoxy)acetamide
CID 115771500
3-(2-aminophenyl)-N-ethyl-N-propylpropanamide
CID 43309247

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenyl)-N-ethyl-N-(3-hydroxypropyl)propanamide?
The IUPAC name of 3-(2-ethoxyphenyl)-N-ethyl-N-(3-hydroxypropyl)propanamide (CID 115771921) is 3-(2-ethoxyphenyl)-N-ethyl-N-(3-hydroxypropyl)propanamide.
What is the SMILES notation for 3-(2-ethoxyphenyl)-N-ethyl-N-(3-hydroxypropyl)propanamide?
The canonical SMILES for 3-(2-ethoxyphenyl)-N-ethyl-N-(3-hydroxypropyl)propanamide is CCOc1ccccc1CCC(=O)N(CC)CCCO.
What is the InChIKey of 3-(2-ethoxyphenyl)-N-ethyl-N-(3-hydroxypropyl)propanamide?
The InChIKey is IECDCTFDUHUOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-3-17(12-7-13-18)16(19)11-10-14-8-5-6-9-15(14)20-4-2/h5-6,8-9,18H,3-4,7,10-13H2,1-2H3.
What are the key properties of 3-(2-ethoxyphenyl)-N-ethyl-N-(3-hydroxypropyl)propanamide?
3-(2-ethoxyphenyl)-N-ethyl-N-(3-hydroxypropyl)propanamide has a molecular weight of 279.38 g/mol, XLogP of 2.25, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyphenyl)-N-ethyl-N-(3-hydroxypropyl)propanamide is sourced from PubChem (CID 115771921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).