N,N-diethyl-2-(4-prop-2-enyl-2-propoxyphenoxy)acetamide

C18H27NO3 — CID 3026092

IUPACN,N-diethyl-2-(4-prop-2-enyl-2-propoxyphenoxy)acetamide
SMILESC=CCc1ccc(OCC(=O)N(CC)CC)c(OCCC)c1
InChIInChI=1S/C18H27NO3/c1-5-9-15-10-11-16(17(13-15)21-12-6-2)22-14-18(20)19(7-3)8-4/h5,10-11,13H,1,6-9,12,14H2,2-4H3
InChIKeyUDUHHMYWHMCWLB-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.45
Rot. Bonds10

About N,N-diethyl-2-(4-prop-2-enyl-2-propoxyphenoxy)acetamide

N,N-diethyl-2-(4-prop-2-enyl-2-propoxyphenoxy)acetamide (PubChem CID 3026092) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is N,N-diethyl-2-(4-prop-2-enyl-2-propoxyphenoxy)acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(4-prop-2-enyl-2-propoxyphenoxy)acetamide
PubChem CID3026092
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC NameN,N-diethyl-2-(4-prop-2-enyl-2-propoxyphenoxy)acetamide
SMILESC=CCc1ccc(OCC(=O)N(CC)CC)c(OCCC)c1
InChIInChI=1S/C18H27NO3/c1-5-9-15-10-11-16(17(13-15)21-12-6-2)22-14-18(20)19(7-3)8-4/h5,10-11,13H,1,6-9,12,14H2,2-4H3
InChIKeyUDUHHMYWHMCWLB-UHFFFAOYSA-N
XLogP3.45
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[2-(carboxymethoxy)-4-prop-2-enylphenoxy]acetic acid
CID 67378095
methyl 2-[2-(2-methoxy-2-oxoethoxy)-4-prop-2-enylphenoxy]acetate
CID 67377849
potassium;hydride;2-methoxy-4-prop-2-enyl-1-propoxybenzene
CID 175484509
2-[ethyl-[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]-N-(2-methoxyphenyl)acetamide
CID 38798639
N,N-diethyl-2-(4-ethyl-2-methoxyphenoxy)acetamide
CID 154118386
propyl 2-[4-[2-(dipropylamino)-2-oxoethoxy]-3-propoxyphenyl]acetate
CID 11574730
2-(3-ethoxy-4-propoxyphenyl)acetaldehyde
CID 82362954
2-[4-[2-(diethylamino)-2-oxoethoxy]-3-methoxyphenyl]acetic acid
CID 879607
1-butoxy-2-methoxy-4-prop-2-enylbenzene
CID 3019586
N,N-diethyl-4-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]benzamide
CID 8503813
N,N-diethyl-2-[5-(ethylaminomethyl)-2-methoxyphenoxy]acetamide
CID 43278782
2-methoxy-1-pentoxy-4-prop-2-enylbenzene
CID 3024287

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(4-prop-2-enyl-2-propoxyphenoxy)acetamide?
The IUPAC name of N,N-diethyl-2-(4-prop-2-enyl-2-propoxyphenoxy)acetamide (CID 3026092) is N,N-diethyl-2-(4-prop-2-enyl-2-propoxyphenoxy)acetamide.
What is the SMILES notation for N,N-diethyl-2-(4-prop-2-enyl-2-propoxyphenoxy)acetamide?
The canonical SMILES for N,N-diethyl-2-(4-prop-2-enyl-2-propoxyphenoxy)acetamide is C=CCc1ccc(OCC(=O)N(CC)CC)c(OCCC)c1.
What is the InChIKey of N,N-diethyl-2-(4-prop-2-enyl-2-propoxyphenoxy)acetamide?
The InChIKey is UDUHHMYWHMCWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-5-9-15-10-11-16(17(13-15)21-12-6-2)22-14-18(20)19(7-3)8-4/h5,10-11,13H,1,6-9,12,14H2,2-4H3.
What are the key properties of N,N-diethyl-2-(4-prop-2-enyl-2-propoxyphenoxy)acetamide?
N,N-diethyl-2-(4-prop-2-enyl-2-propoxyphenoxy)acetamide has a molecular weight of 305.42 g/mol, XLogP of 3.45, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(4-prop-2-enyl-2-propoxyphenoxy)acetamide is sourced from PubChem (CID 3026092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).