(E)-N-(5-hydroxypentyl)-N-methyl-3-(3-methylphenyl)prop-2-enamide

C16H23NO2 — CID 107202427

IUPAC(E)-N-(5-hydroxypentyl)-N-methyl-3-(3-methylphenyl)prop-2-enamide
SMILESCc1cccc(/C=C/C(=O)N(C)CCCCCO)c1
InChIInChI=1S/C16H23NO2/c1-14-7-6-8-15(13-14)9-10-16(19)17(2)11-4-3-5-12-18/h6-10,13,18H,3-5,11-12H2,1-2H3/b10-9+
InChIKeyUECXHCUKBWLHHT-MDZDMXLPSA-N
MW261.37 g/mol
LogP2.63
Rot. Bonds7

About (E)-N-(5-hydroxypentyl)-N-methyl-3-(3-methylphenyl)prop-2-enamide

(E)-N-(5-hydroxypentyl)-N-methyl-3-(3-methylphenyl)prop-2-enamide (PubChem CID 107202427) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is (E)-N-(5-hydroxypentyl)-N-methyl-3-(3-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(5-hydroxypentyl)-N-methyl-3-(3-methylphenyl)prop-2-enamide
PubChem CID107202427
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name(E)-N-(5-hydroxypentyl)-N-methyl-3-(3-methylphenyl)prop-2-enamide
SMILESCc1cccc(/C=C/C(=O)N(C)CCCCCO)c1
InChIInChI=1S/C16H23NO2/c1-14-7-6-8-15(13-14)9-10-16(19)17(2)11-4-3-5-12-18/h6-10,13,18H,3-5,11-12H2,1-2H3/b10-9+
InChIKeyUECXHCUKBWLHHT-MDZDMXLPSA-N
XLogP2.63
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.63
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)-3-(2-bromo-4-methylphenyl)-N-(5-hydroxypentyl)-N-methylprop-2-enamide
CID 107202605
(E)-N-decyl-N-methyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 5353236
2-methyl-3-[methyl-[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]propanoic acid
CID 55008257
(E)-3-(3-aminophenyl)-N-[3-(dimethylamino)propyl]-N-methylprop-2-enamide
CID 115344167
methyl 3-[3-[methyl(octyl)amino]-3-oxoprop-1-enyl]benzoate
CID 139882777
(E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(3-methylphenyl)prop-2-enamide
CID 9468468
(E)-N-(2-anilino-2-oxoethyl)-N-methyl-3-(3-methylphenyl)prop-2-enamide
CID 46425147
N-[2-[5-hydroxypentyl(methyl)amino]-2-oxoethyl]-3-methylbenzamide
CID 107202831
3-methyl-5-[3-[methyl(octyl)amino]-3-oxoprop-1-enyl]benzamide
CID 139882818
(E)-3-(3-aminophenyl)-N-methyl-N-[(3-methylphenyl)methyl]prop-2-enamide
CID 115343261
(E)-N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-3-(3-methylphenyl)prop-2-enamide
CID 30549125
4-[methyl-[3-(3-propan-2-yloxyphenyl)prop-2-enoyl]amino]butanoic acid
CID 91943223

Frequently Asked Questions

What is the IUPAC name of (E)-N-(5-hydroxypentyl)-N-methyl-3-(3-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(5-hydroxypentyl)-N-methyl-3-(3-methylphenyl)prop-2-enamide (CID 107202427) is (E)-N-(5-hydroxypentyl)-N-methyl-3-(3-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(5-hydroxypentyl)-N-methyl-3-(3-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(5-hydroxypentyl)-N-methyl-3-(3-methylphenyl)prop-2-enamide is Cc1cccc(/C=C/C(=O)N(C)CCCCCO)c1.
What is the InChIKey of (E)-N-(5-hydroxypentyl)-N-methyl-3-(3-methylphenyl)prop-2-enamide?
The InChIKey is UECXHCUKBWLHHT-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H23NO2/c1-14-7-6-8-15(13-14)9-10-16(19)17(2)11-4-3-5-12-18/h6-10,13,18H,3-5,11-12H2,1-2H3/b10-9+.
What are the key properties of (E)-N-(5-hydroxypentyl)-N-methyl-3-(3-methylphenyl)prop-2-enamide?
(E)-N-(5-hydroxypentyl)-N-methyl-3-(3-methylphenyl)prop-2-enamide has a molecular weight of 261.37 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(5-hydroxypentyl)-N-methyl-3-(3-methylphenyl)prop-2-enamide is sourced from PubChem (CID 107202427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).