3-(4-methoxyphenyl)-N-nonylprop-2-enamide

C19H29NO2 — CID 4278604

IUPAC3-(4-methoxyphenyl)-N-nonylprop-2-enamide
SMILESCCCCCCCCCNC(=O)C=Cc1ccc(OC)cc1
InChIInChI=1S/C19H29NO2/c1-3-4-5-6-7-8-9-16-20-19(21)15-12-17-10-13-18(22-2)14-11-17/h10-15H,3-9,16H2,1-2H3,(H,20,21)
InChIKeyAPRZODNJBCGOAS-UHFFFAOYSA-N
MW303.45 g/mol
LogP4.58
Rot. Bonds11

About 3-(4-methoxyphenyl)-N-nonylprop-2-enamide

3-(4-methoxyphenyl)-N-nonylprop-2-enamide (PubChem CID 4278604) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-nonylprop-2-enamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-nonylprop-2-enamide
PubChem CID4278604
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name3-(4-methoxyphenyl)-N-nonylprop-2-enamide
SMILESCCCCCCCCCNC(=O)C=Cc1ccc(OC)cc1
InChIInChI=1S/C19H29NO2/c1-3-4-5-6-7-8-9-16-20-19(21)15-12-17-10-13-18(22-2)14-11-17/h10-15H,3-9,16H2,1-2H3,(H,20,21)
InChIKeyAPRZODNJBCGOAS-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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(hexadecylcarbamothioyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 6276241
3-(4-methoxyphenyl)-N-[2-[3-(4-methoxyphenyl)prop-2-enoylamino]ethyl]prop-2-enamide
CID 2933087
(E)-3-(4-methylphenyl)-N-octylprop-2-enamide
CID 6042816
3-(4-methylphenyl)-N-octylprop-2-enamide
CID 4229517
4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]butanoic acid
CID 24705756
(E)-3-(4-chlorophenyl)-N-undecylprop-2-enamide
CID 6006406
3-(4-chlorophenyl)-N-decylprop-2-enamide
CID 4172877
(E)-3-(4-bromophenyl)-N-hexylprop-2-enamide
CID 6024199
ethyl-[3-[3-(4-methoxyphenyl)prop-2-enoylamino]propyl]-dimethylazanium
CID 90891358
3-(3,4-dimethoxyphenyl)-N-hexadecylprop-2-enamide
CID 3419575
(E)-3-(3,4-dimethoxyphenyl)-N-nonylprop-2-enamide
CID 6075607
3-(4-methylphenyl)-N-pentylprop-2-enamide
CID 3568321

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-nonylprop-2-enamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-nonylprop-2-enamide (CID 4278604) is 3-(4-methoxyphenyl)-N-nonylprop-2-enamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-nonylprop-2-enamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-nonylprop-2-enamide is CCCCCCCCCNC(=O)C=Cc1ccc(OC)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-nonylprop-2-enamide?
The InChIKey is APRZODNJBCGOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-3-4-5-6-7-8-9-16-20-19(21)15-12-17-10-13-18(22-2)14-11-17/h10-15H,3-9,16H2,1-2H3,(H,20,21).
What are the key properties of 3-(4-methoxyphenyl)-N-nonylprop-2-enamide?
3-(4-methoxyphenyl)-N-nonylprop-2-enamide 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 3-(4-methoxyphenyl)-N-nonylprop-2-enamide is sourced from PubChem (CID 4278604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).