[2-[(dimethylamino)methyl]cyclohexyl] 3-(4-methoxyphenyl)prop-2-enoate;hydrochloride

C19H28ClNO3 — CID 91941951

IUPAC[2-[(dimethylamino)methyl]cyclohexyl] 3-(4-methoxyphenyl)prop-2-enoate;hydrochloride
SMILESCOc1ccc(C=CC(=O)OC2CCCCC2CN(C)C)cc1.Cl
InChIInChI=1S/C19H27NO3.ClH/c1-20(2)14-16-6-4-5-7-18(16)23-19(21)13-10-15-8-11-17(22-3)12-9-15;/h8-13,16,18H,4-7,14H2,1-3H3;1H
InChIKeyFJKRVXLDYFNYIO-UHFFFAOYSA-N
MW353.89 g/mol
LogP3.79
Rot. Bonds6

About [2-[(dimethylamino)methyl]cyclohexyl] 3-(4-methoxyphenyl)prop-2-enoate;hydrochloride

[2-[(dimethylamino)methyl]cyclohexyl] 3-(4-methoxyphenyl)prop-2-enoate;hydrochloride (PubChem CID 91941951) has the molecular formula C19H28ClNO3 and a molecular weight of 353.89 g/mol. Its IUPAC name is [2-[(dimethylamino)methyl]cyclohexyl] 3-(4-methoxyphenyl)prop-2-enoate;hydrochloride.

Molecular Properties

Compound Name[2-[(dimethylamino)methyl]cyclohexyl] 3-(4-methoxyphenyl)prop-2-enoate;hydrochloride
PubChem CID91941951
Molecular FormulaC19H28ClNO3
Molecular Weight353.89 g/mol
Exact Mass353.18
IUPAC Name[2-[(dimethylamino)methyl]cyclohexyl] 3-(4-methoxyphenyl)prop-2-enoate;hydrochloride
SMILESCOc1ccc(C=CC(=O)OC2CCCCC2CN(C)C)cc1.Cl
InChIInChI=1S/C19H27NO3.ClH/c1-20(2)14-16-6-4-5-7-18(16)23-19(21)13-10-15-8-11-17(22-3)12-9-15;/h8-13,16,18H,4-7,14H2,1-3H3;1H
InChIKeyFJKRVXLDYFNYIO-UHFFFAOYSA-N
XLogP3.79
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.89
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [2-[(dimethylamino)methyl]cyclohexyl] 3-(4-methoxyphenyl)prop-2-enoate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1S,2S)-2-[(dimethylamino)methyl]cyclohexyl] (E)-3-phenylprop-2-enoate
CID 7721930
[6-[3-(4-methoxyphenyl)prop-2-enoyloxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 3-(4-methoxyphenyl)prop-2-enoate
CID 76745950
(E)-N-[2-(hydroxymethyl)cyclohexyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 103860266
(E)-N-cyclohexyl-3-(4-methoxyphenyl)-N-methylprop-2-enamide
CID 6231547
N-cyclohexyl-3-(4-methoxyphenyl)-N-methylprop-2-enamide
CID 4923225
N-[2-[(dimethylamino)methyl]cyclohexyl]-4-methoxybenzamide
CID 110279273
3-(4-methoxyphenyl)-N-[(2S)-2-[3-(4-methoxyphenyl)prop-2-enoylamino]cyclohexyl]prop-2-enamide
CID 123929068
[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxycyclohexyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
CID 89402377
N-methoxy-3-(4-methoxyphenyl)-N-methylprop-2-enamide
CID 54257265
methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 641297
(4-methoxyphenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 774853
(E)-N-cyclohexyl-N-ethyl-3-(4-methoxyphenyl)prop-2-enamide
CID 890681

Frequently Asked Questions

What is the IUPAC name of [2-[(dimethylamino)methyl]cyclohexyl] 3-(4-methoxyphenyl)prop-2-enoate;hydrochloride?
The IUPAC name of [2-[(dimethylamino)methyl]cyclohexyl] 3-(4-methoxyphenyl)prop-2-enoate;hydrochloride (CID 91941951) is [2-[(dimethylamino)methyl]cyclohexyl] 3-(4-methoxyphenyl)prop-2-enoate;hydrochloride.
What is the SMILES notation for [2-[(dimethylamino)methyl]cyclohexyl] 3-(4-methoxyphenyl)prop-2-enoate;hydrochloride?
The canonical SMILES for [2-[(dimethylamino)methyl]cyclohexyl] 3-(4-methoxyphenyl)prop-2-enoate;hydrochloride is COc1ccc(C=CC(=O)OC2CCCCC2CN(C)C)cc1.Cl.
What is the InChIKey of [2-[(dimethylamino)methyl]cyclohexyl] 3-(4-methoxyphenyl)prop-2-enoate;hydrochloride?
The InChIKey is FJKRVXLDYFNYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3.ClH/c1-20(2)14-16-6-4-5-7-18(16)23-19(21)13-10-15-8-11-17(22-3)12-9-15;/h8-13,16,18H,4-7,14H2,1-3H3;1H.
What are the key properties of [2-[(dimethylamino)methyl]cyclohexyl] 3-(4-methoxyphenyl)prop-2-enoate;hydrochloride?
[2-[(dimethylamino)methyl]cyclohexyl] 3-(4-methoxyphenyl)prop-2-enoate;hydrochloride has a molecular weight of 353.89 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(dimethylamino)methyl]cyclohexyl] 3-(4-methoxyphenyl)prop-2-enoate;hydrochloride is sourced from PubChem (CID 91941951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).