N-[3-(4-octoxyphenyl)prop-2-enyl]acetamide

C19H29NO2 — CID 169466608

IUPACN-[3-(4-octoxyphenyl)prop-2-enyl]acetamide
SMILESCCCCCCCCOc1ccc(C=CCNC(C)=O)cc1
InChIInChI=1S/C19H29NO2/c1-3-4-5-6-7-8-16-22-19-13-11-18(12-14-19)10-9-15-20-17(2)21/h9-14H,3-8,15-16H2,1-2H3,(H,20,21)
InChIKeyQDUVGZDEPVEWHP-UHFFFAOYSA-N
MW303.45 g/mol
LogP4.58
Rot. Bonds11

About N-[3-(4-octoxyphenyl)prop-2-enyl]acetamide

N-[3-(4-octoxyphenyl)prop-2-enyl]acetamide (PubChem CID 169466608) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is N-[3-(4-octoxyphenyl)prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-(4-octoxyphenyl)prop-2-enyl]acetamide
PubChem CID169466608
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC NameN-[3-(4-octoxyphenyl)prop-2-enyl]acetamide
SMILESCCCCCCCCOc1ccc(C=CCNC(C)=O)cc1
InChIInChI=1S/C19H29NO2/c1-3-4-5-6-7-8-16-22-19-13-11-18(12-14-19)10-9-15-20-17(2)21/h9-14H,3-8,15-16H2,1-2H3,(H,20,21)
InChIKeyQDUVGZDEPVEWHP-UHFFFAOYSA-N
XLogP4.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[4-(2-hydroxyethoxy)phenyl]prop-2-enyl]acetamide
CID 169465739
3-(4-hexoxyphenyl)-N-methylprop-2-en-1-amine
CID 169474720
benzyl N-[3-(4-heptoxyphenyl)prop-2-enyl]carbamate
CID 169472791
methyl 2-[4-(3-acetamidoprop-1-enyl)phenoxy]acetate
CID 169466323
N-[(E)-3-(4-methoxyphenyl)prop-2-enyl]acetamide
CID 129353993
1-hexoxy-4-[(E)-pent-1-enyl]benzene
CID 173201966
methyl 3-(4-hexoxyphenyl)prop-2-enoate
CID 54420743
3-(4-decoxyphenyl)prop-2-enoic acid
CID 3472198
3-(4-butoxyphenyl)-N-ethylprop-2-en-1-amine
CID 79348223
(E)-3-(4-octadecoxyphenyl)prop-2-enoyl chloride
CID 11059159
N'-[4-[(E)-2-(4-dodecoxyphenyl)ethenyl]phenyl]oxamide
CID 11503325
4-(4-butoxyphenyl)but-3-en-2-one
CID 2772143

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-octoxyphenyl)prop-2-enyl]acetamide?
The IUPAC name of N-[3-(4-octoxyphenyl)prop-2-enyl]acetamide (CID 169466608) is N-[3-(4-octoxyphenyl)prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-(4-octoxyphenyl)prop-2-enyl]acetamide?
The canonical SMILES for N-[3-(4-octoxyphenyl)prop-2-enyl]acetamide is CCCCCCCCOc1ccc(C=CCNC(C)=O)cc1.
What is the InChIKey of N-[3-(4-octoxyphenyl)prop-2-enyl]acetamide?
The InChIKey is QDUVGZDEPVEWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-3-4-5-6-7-8-16-22-19-13-11-18(12-14-19)10-9-15-20-17(2)21/h9-14H,3-8,15-16H2,1-2H3,(H,20,21).
What are the key properties of N-[3-(4-octoxyphenyl)prop-2-enyl]acetamide?
N-[3-(4-octoxyphenyl)prop-2-enyl]acetamide has a molecular weight of 303.45 g/mol, XLogP of 4.58, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-octoxyphenyl)prop-2-enyl]acetamide is sourced from PubChem (CID 169466608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).