(E)-3-(4-hydroxy-2-methylphenyl)-N-nonylprop-2-enamide

C19H29NO2 — CID 23017898

IUPAC(E)-3-(4-hydroxy-2-methylphenyl)-N-nonylprop-2-enamide
SMILESCCCCCCCCCNC(=O)/C=C/c1ccc(O)cc1C
InChIInChI=1S/C19H29NO2/c1-3-4-5-6-7-8-9-14-20-19(22)13-11-17-10-12-18(21)15-16(17)2/h10-13,15,21H,3-9,14H2,1-2H3,(H,20,22)/b13-11+
InChIKeyKVMFSFDQBYDPTL-ACCUITESSA-N
MW303.45 g/mol
LogP4.58
Rot. Bonds10

About (E)-3-(4-hydroxy-2-methylphenyl)-N-nonylprop-2-enamide

(E)-3-(4-hydroxy-2-methylphenyl)-N-nonylprop-2-enamide (PubChem CID 23017898) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is (E)-3-(4-hydroxy-2-methylphenyl)-N-nonylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-hydroxy-2-methylphenyl)-N-nonylprop-2-enamide
PubChem CID23017898
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name(E)-3-(4-hydroxy-2-methylphenyl)-N-nonylprop-2-enamide
SMILESCCCCCCCCCNC(=O)/C=C/c1ccc(O)cc1C
InChIInChI=1S/C19H29NO2/c1-3-4-5-6-7-8-9-14-20-19(22)13-11-17-10-12-18(21)15-16(17)2/h10-13,15,21H,3-9,14H2,1-2H3,(H,20,22)/b13-11+
InChIKeyKVMFSFDQBYDPTL-ACCUITESSA-N
XLogP4.58
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.58
H-Bond Donors ≤ 52
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

3-(5-tert-butyl-2-hydroxy-3-methylphenyl)-N-octadecylprop-2-enamide
CID 150070458
(E)-3-(2,4-dimethylphenyl)-N-(4-hydroxybutyl)prop-2-enamide
CID 106842991
(E)-3-(4-methylphenyl)-N-octylprop-2-enamide
CID 6042816
3-(4-methylphenyl)-N-octylprop-2-enamide
CID 4229517
3-(2-chlorophenyl)-N-undecylprop-2-enamide
CID 3474839
N-butyl-3-(4-hydroxyphenyl)prop-2-enamide
CID 56978455
3-(4-methylphenyl)-N-pentylprop-2-enamide
CID 3568321
N-heptyl-3-(2-methoxyphenyl)prop-2-enamide
CID 3506378
ethyl 4-[[(E)-3-(2,4-dimethylphenyl)prop-2-enoyl]amino]butanoate
CID 60703386
ethyl (E)-3-(4-hydroxy-2-methylphenyl)prop-2-enoate
CID 86730658
(Z)-3-(2-methylphenyl)-N-propylprop-2-enamide
CID 97305683
(E)-3-(4-bromophenyl)-N-hexylprop-2-enamide
CID 6024199

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-hydroxy-2-methylphenyl)-N-nonylprop-2-enamide?
The IUPAC name of (E)-3-(4-hydroxy-2-methylphenyl)-N-nonylprop-2-enamide (CID 23017898) is (E)-3-(4-hydroxy-2-methylphenyl)-N-nonylprop-2-enamide.
What is the SMILES notation for (E)-3-(4-hydroxy-2-methylphenyl)-N-nonylprop-2-enamide?
The canonical SMILES for (E)-3-(4-hydroxy-2-methylphenyl)-N-nonylprop-2-enamide is CCCCCCCCCNC(=O)/C=C/c1ccc(O)cc1C.
What is the InChIKey of (E)-3-(4-hydroxy-2-methylphenyl)-N-nonylprop-2-enamide?
The InChIKey is KVMFSFDQBYDPTL-ACCUITESSA-N. The full InChI is InChI=1S/C19H29NO2/c1-3-4-5-6-7-8-9-14-20-19(22)13-11-17-10-12-18(21)15-16(17)2/h10-13,15,21H,3-9,14H2,1-2H3,(H,20,22)/b13-11+.
What are the key properties of (E)-3-(4-hydroxy-2-methylphenyl)-N-nonylprop-2-enamide?
(E)-3-(4-hydroxy-2-methylphenyl)-N-nonylprop-2-enamide has a molecular weight of 303.45 g/mol, XLogP of 4.58, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-hydroxy-2-methylphenyl)-N-nonylprop-2-enamide is sourced from PubChem (CID 23017898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).