[4-[3-[(dimethylamino)methyl]-4-hydroxy-6-methoxynaphthalen-2-yl]cyclohexyl] butanoate

C24H33NO4 — CID 139997485

IUPAC[4-[3-[(dimethylamino)methyl]-4-hydroxy-6-methoxynaphthalen-2-yl]cyclohexyl] butanoate
SMILESCCCC(=O)OC1CCC(c2cc3ccc(OC)cc3c(O)c2CN(C)C)CC1
InChIInChI=1S/C24H33NO4/c1-5-6-23(26)29-18-10-7-16(8-11-18)20-13-17-9-12-19(28-4)14-21(17)24(27)22(20)15-25(2)3/h9,12-14,16,18,27H,5-8,10-11,15H2,1-4H3
InChIKeyDXMLBNDHWGGVRJ-UHFFFAOYSA-N
MW399.53 g/mol
LogP4.99
Rot. Bonds7

About [4-[3-[(dimethylamino)methyl]-4-hydroxy-6-methoxynaphthalen-2-yl]cyclohexyl] butanoate

[4-[3-[(dimethylamino)methyl]-4-hydroxy-6-methoxynaphthalen-2-yl]cyclohexyl] butanoate (PubChem CID 139997485) has the molecular formula C24H33NO4 and a molecular weight of 399.53 g/mol. Its IUPAC name is [4-[3-[(dimethylamino)methyl]-4-hydroxy-6-methoxynaphthalen-2-yl]cyclohexyl] butanoate.

Molecular Properties

Compound Name[4-[3-[(dimethylamino)methyl]-4-hydroxy-6-methoxynaphthalen-2-yl]cyclohexyl] butanoate
PubChem CID139997485
Molecular FormulaC24H33NO4
Molecular Weight399.53 g/mol
Exact Mass399.24
IUPAC Name[4-[3-[(dimethylamino)methyl]-4-hydroxy-6-methoxynaphthalen-2-yl]cyclohexyl] butanoate
SMILESCCCC(=O)OC1CCC(c2cc3ccc(OC)cc3c(O)c2CN(C)C)CC1
InChIInChI=1S/C24H33NO4/c1-5-6-23(26)29-18-10-7-16(8-11-18)20-13-17-9-12-19(28-4)14-21(17)24(27)22(20)15-25(2)3/h9,12-14,16,18,27H,5-8,10-11,15H2,1-4H3
InChIKeyDXMLBNDHWGGVRJ-UHFFFAOYSA-N
XLogP4.99
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.53
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze [4-[3-[(dimethylamino)methyl]-4-hydroxy-6-methoxynaphthalen-2-yl]cyclohexyl] butanoate 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

ethyl 3-[(dimethylamino)methyl]-5-methoxy-1H-indole-2-carboxylate
CID 907671
ethyl 2-(2,7-dimethoxyanthracen-9-yl)acetate
CID 132539637
[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl] butanoate
CID 90842495
1,2-difluoro-7-methoxy-3-(4-pentylcyclohexyl)naphthalene
CID 139864071
cyclopentyl 6-methoxy-2-methylquinoline-4-carboxylate
CID 75422217
(2,3-difluoro-5-methoxy-2,3-dihydro-1H-inden-1-yl) butanoate
CID 90800135
2-[(dimethylamino)methyl]-4-methoxyphenol
CID 12561113
1,2-difluoro-7-methoxy-3-[4-(4-pentylcyclohexyl)cyclohexyl]naphthalene
CID 139863125
N-[(1R,2S)-2-(2,7-dimethoxynaphthalen-1-yl)cyclopropyl]butanamide
CID 15453092
ethyl 3-[(7-methoxyisoquinolin-1-yl)-methylamino]propanoate
CID 106541958
ethyl 2-(6-methoxy-3,4-dihydro-2H-chromen-4-yl)acetate
CID 14330292
ethyl 2-hydroxy-2-(4-methoxy-8-tricyclo[7.1.1.02,7]undeca-2(7),3,5-trienyl)acetate
CID 91098697

Frequently Asked Questions

What is the IUPAC name of [4-[3-[(dimethylamino)methyl]-4-hydroxy-6-methoxynaphthalen-2-yl]cyclohexyl] butanoate?
The IUPAC name of [4-[3-[(dimethylamino)methyl]-4-hydroxy-6-methoxynaphthalen-2-yl]cyclohexyl] butanoate (CID 139997485) is [4-[3-[(dimethylamino)methyl]-4-hydroxy-6-methoxynaphthalen-2-yl]cyclohexyl] butanoate.
What is the SMILES notation for [4-[3-[(dimethylamino)methyl]-4-hydroxy-6-methoxynaphthalen-2-yl]cyclohexyl] butanoate?
The canonical SMILES for [4-[3-[(dimethylamino)methyl]-4-hydroxy-6-methoxynaphthalen-2-yl]cyclohexyl] butanoate is CCCC(=O)OC1CCC(c2cc3ccc(OC)cc3c(O)c2CN(C)C)CC1.
What is the InChIKey of [4-[3-[(dimethylamino)methyl]-4-hydroxy-6-methoxynaphthalen-2-yl]cyclohexyl] butanoate?
The InChIKey is DXMLBNDHWGGVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO4/c1-5-6-23(26)29-18-10-7-16(8-11-18)20-13-17-9-12-19(28-4)14-21(17)24(27)22(20)15-25(2)3/h9,12-14,16,18,27H,5-8,10-11,15H2,1-4H3.
What are the key properties of [4-[3-[(dimethylamino)methyl]-4-hydroxy-6-methoxynaphthalen-2-yl]cyclohexyl] butanoate?
[4-[3-[(dimethylamino)methyl]-4-hydroxy-6-methoxynaphthalen-2-yl]cyclohexyl] butanoate has a molecular weight of 399.53 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[(dimethylamino)methyl]-4-hydroxy-6-methoxynaphthalen-2-yl]cyclohexyl] butanoate is sourced from PubChem (CID 139997485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).