(E)-3-(4-methylphenyl)-N-octylprop-2-enamide

C18H27NO — CID 6042816

IUPAC(E)-3-(4-methylphenyl)-N-octylprop-2-enamide
SMILESCCCCCCCCNC(=O)/C=C/c1ccc(C)cc1
InChIInChI=1S/C18H27NO/c1-3-4-5-6-7-8-15-19-18(20)14-13-17-11-9-16(2)10-12-17/h9-14H,3-8,15H2,1-2H3,(H,19,20)/b14-13+
InChIKeyRRXZILNMMWWTMP-BUHFOSPRSA-N
MW273.42 g/mol
LogP4.48
Rot. Bonds9

About (E)-3-(4-methylphenyl)-N-octylprop-2-enamide

(E)-3-(4-methylphenyl)-N-octylprop-2-enamide (PubChem CID 6042816) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is (E)-3-(4-methylphenyl)-N-octylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-methylphenyl)-N-octylprop-2-enamide
PubChem CID6042816
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name(E)-3-(4-methylphenyl)-N-octylprop-2-enamide
SMILESCCCCCCCCNC(=O)/C=C/c1ccc(C)cc1
InChIInChI=1S/C18H27NO/c1-3-4-5-6-7-8-15-19-18(20)14-13-17-11-9-16(2)10-12-17/h9-14H,3-8,15H2,1-2H3,(H,19,20)/b14-13+
InChIKeyRRXZILNMMWWTMP-BUHFOSPRSA-N
XLogP4.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

3-(4-methylphenyl)-N-octylprop-2-enamide
CID 4229517
3-(4-methylphenyl)-N-pentylprop-2-enamide
CID 3568321
(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
(E)-3-(4-methylphenyl)-N-[2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide
CID 2180886
3-(4-methoxyphenyl)-N-nonylprop-2-enamide
CID 4278604
N-octyl-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 4115175
N-butyl-3-(4-hydroxyphenyl)prop-2-enamide
CID 56978455
(E)-N-(4-methylpentyl)-3-(4-methylphenyl)prop-2-enamide
CID 55593221
(E)-3-(4-methylphenyl)-N-(4-phenylbutyl)prop-2-enamide
CID 6293212
3-(3,4-dimethoxyphenyl)-N-hexadecylprop-2-enamide
CID 3419575

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methylphenyl)-N-octylprop-2-enamide?
The IUPAC name of (E)-3-(4-methylphenyl)-N-octylprop-2-enamide (CID 6042816) is (E)-3-(4-methylphenyl)-N-octylprop-2-enamide.
What is the SMILES notation for (E)-3-(4-methylphenyl)-N-octylprop-2-enamide?
The canonical SMILES for (E)-3-(4-methylphenyl)-N-octylprop-2-enamide is CCCCCCCCNC(=O)/C=C/c1ccc(C)cc1.
What is the InChIKey of (E)-3-(4-methylphenyl)-N-octylprop-2-enamide?
The InChIKey is RRXZILNMMWWTMP-BUHFOSPRSA-N. The full InChI is InChI=1S/C18H27NO/c1-3-4-5-6-7-8-15-19-18(20)14-13-17-11-9-16(2)10-12-17/h9-14H,3-8,15H2,1-2H3,(H,19,20)/b14-13+.
What are the key properties of (E)-3-(4-methylphenyl)-N-octylprop-2-enamide?
(E)-3-(4-methylphenyl)-N-octylprop-2-enamide has a molecular weight of 273.42 g/mol, XLogP of 4.48, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methylphenyl)-N-octylprop-2-enamide is sourced from PubChem (CID 6042816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).