N-(3-ethoxypropyl)-2-(4-propanoylphenoxy)acetamide

C16H23NO4 — CID 78760477

IUPACN-(3-ethoxypropyl)-2-(4-propanoylphenoxy)acetamide
SMILESCCOCCCNC(=O)COc1ccc(C(=O)CC)cc1
InChIInChI=1S/C16H23NO4/c1-3-15(18)13-6-8-14(9-7-13)21-12-16(19)17-10-5-11-20-4-2/h6-9H,3-5,10-12H2,1-2H3,(H,17,19)
InChIKeyXZGBRTDOTXFIFR-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.20
Rot. Bonds10

About N-(3-ethoxypropyl)-2-(4-propanoylphenoxy)acetamide

N-(3-ethoxypropyl)-2-(4-propanoylphenoxy)acetamide (PubChem CID 78760477) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-(4-propanoylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-(4-propanoylphenoxy)acetamide
PubChem CID78760477
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC NameN-(3-ethoxypropyl)-2-(4-propanoylphenoxy)acetamide
SMILESCCOCCCNC(=O)COc1ccc(C(=O)CC)cc1
InChIInChI=1S/C16H23NO4/c1-3-15(18)13-6-8-14(9-7-13)21-12-16(19)17-10-5-11-20-4-2/h6-9H,3-5,10-12H2,1-2H3,(H,17,19)
InChIKeyXZGBRTDOTXFIFR-UHFFFAOYSA-N
XLogP2.20
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.20
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-(3-ethoxypropyl)-2-(4-nitrophenoxy)acetamide
CID 27680554
N-(3-ethoxypropyl)-2-naphthalen-2-yloxyacetamide
CID 35292228
1-[4-(3-ethoxypropylamino)phenyl]propan-1-one
CID 114066648
N-(3,3-diphenylpropyl)-2-(4-propanoylphenoxy)acetamide
CID 7935611
N-[2-(4-bromophenyl)sulfanylethyl]-2-(4-propanoylphenoxy)acetamide
CID 17394310
N-(cyclohexylmethyl)-2-(4-propanoylphenoxy)acetamide
CID 78760578
4-[2-(butylamino)-2-oxoethoxy]benzoic acid
CID 22645381
N-butyl-2-(4-propoxyphenoxy)acetamide
CID 112775304
N-(4-ethoxyphenyl)-2-(4-propanoylphenoxy)acetamide
CID 2542308
N-(3-ethoxypropyl)-3-(4-ethylphenoxy)propanamide
CID 108795737
N-[2-(methylamino)propyl]-2-(4-propanoylphenoxy)acetamide
CID 120828053
N-[3-(2-oxoazepan-1-yl)propyl]-2-(4-propanoylphenoxy)acetamide
CID 8916560

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-(4-propanoylphenoxy)acetamide?
The IUPAC name of N-(3-ethoxypropyl)-2-(4-propanoylphenoxy)acetamide (CID 78760477) is N-(3-ethoxypropyl)-2-(4-propanoylphenoxy)acetamide.
What is the SMILES notation for N-(3-ethoxypropyl)-2-(4-propanoylphenoxy)acetamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-(4-propanoylphenoxy)acetamide is CCOCCCNC(=O)COc1ccc(C(=O)CC)cc1.
What is the InChIKey of N-(3-ethoxypropyl)-2-(4-propanoylphenoxy)acetamide?
The InChIKey is XZGBRTDOTXFIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-3-15(18)13-6-8-14(9-7-13)21-12-16(19)17-10-5-11-20-4-2/h6-9H,3-5,10-12H2,1-2H3,(H,17,19).
What are the key properties of N-(3-ethoxypropyl)-2-(4-propanoylphenoxy)acetamide?
N-(3-ethoxypropyl)-2-(4-propanoylphenoxy)acetamide has a molecular weight of 293.36 g/mol, XLogP of 2.20, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-(4-propanoylphenoxy)acetamide is sourced from PubChem (CID 78760477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).