N-(2-cyclobutyloxyethyl)-7-(3-cyclohexylpropyl)-1-methyl-6,7-dihydronaphthalene-2-carboxamide

C27H39NO2 — CID 123324024

IUPACN-(2-cyclobutyloxyethyl)-7-(3-cyclohexylpropyl)-1-methyl-6,7-dihydronaphthalene-2-carboxamide
SMILESCc1c(C(=O)NCCOC2CCC2)ccc2c1=CC(CCCC1CCCCC1)CC=2
InChIInChI=1S/C27H39NO2/c1-20-25(27(29)28-17-18-30-24-11-6-12-24)16-15-23-14-13-22(19-26(20)23)10-5-9-21-7-3-2-4-8-21/h14-16,19,21-22,24H,2-13,17-18H2,1H3,(H,28,29)
InChIKeyISQLPAONBVYDRL-UHFFFAOYSA-N
MW409.61 g/mol
LogP4.63
Rot. Bonds9

About N-(2-cyclobutyloxyethyl)-7-(3-cyclohexylpropyl)-1-methyl-6,7-dihydronaphthalene-2-carboxamide

N-(2-cyclobutyloxyethyl)-7-(3-cyclohexylpropyl)-1-methyl-6,7-dihydronaphthalene-2-carboxamide (PubChem CID 123324024) has the molecular formula C27H39NO2 and a molecular weight of 409.61 g/mol. Its IUPAC name is N-(2-cyclobutyloxyethyl)-7-(3-cyclohexylpropyl)-1-methyl-6,7-dihydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyclobutyloxyethyl)-7-(3-cyclohexylpropyl)-1-methyl-6,7-dihydronaphthalene-2-carboxamide
PubChem CID123324024
Molecular FormulaC27H39NO2
Molecular Weight409.61 g/mol
Exact Mass409.30
IUPAC NameN-(2-cyclobutyloxyethyl)-7-(3-cyclohexylpropyl)-1-methyl-6,7-dihydronaphthalene-2-carboxamide
SMILESCc1c(C(=O)NCCOC2CCC2)ccc2c1=CC(CCCC1CCCCC1)CC=2
InChIInChI=1S/C27H39NO2/c1-20-25(27(29)28-17-18-30-24-11-6-12-24)16-15-23-14-13-22(19-26(20)23)10-5-9-21-7-3-2-4-8-21/h14-16,19,21-22,24H,2-13,17-18H2,1H3,(H,28,29)
InChIKeyISQLPAONBVYDRL-UHFFFAOYSA-N
XLogP4.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.61
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-cyclobutyloxyethyl)-7-(3-cyclohexylpropyl)-1-methyl-6,7-dihydronaphthalene-2-carboxamide 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

N-(2-cyclobutyloxyethyl)-6-(3-cyclohexylpropyl)-4,7-dimethyl-7,8-dihydro-6H-benzo[7]annulene-3-carboxamide
CID 123404690
(4aE,10E)-N-[2-(cyclopropylmethoxy)ethyl]-4-ethenyl-7-(4-ethyloctyl)-8-methyl-6,7,8,9-tetrahydrobenzo[8]annulene-3-carboxamide
CID 123508541
(3E)-N-(2-cyclobutyloxyethyl)-2-ethyl-4-methylidene-3-[2-[methyl(2-methylbutyl)amino]ethylidene]cyclohexa-1,5-diene-1-carboxamide
CID 144747389
(3E)-N-(2-ethoxyethyl)-2-methyl-4-methylidene-3-(4-propylheptylidene)cyclohexa-1,5-diene-1-carboxamide
CID 144747505

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclobutyloxyethyl)-7-(3-cyclohexylpropyl)-1-methyl-6,7-dihydronaphthalene-2-carboxamide?
The IUPAC name of N-(2-cyclobutyloxyethyl)-7-(3-cyclohexylpropyl)-1-methyl-6,7-dihydronaphthalene-2-carboxamide (CID 123324024) is N-(2-cyclobutyloxyethyl)-7-(3-cyclohexylpropyl)-1-methyl-6,7-dihydronaphthalene-2-carboxamide.
What is the SMILES notation for N-(2-cyclobutyloxyethyl)-7-(3-cyclohexylpropyl)-1-methyl-6,7-dihydronaphthalene-2-carboxamide?
The canonical SMILES for N-(2-cyclobutyloxyethyl)-7-(3-cyclohexylpropyl)-1-methyl-6,7-dihydronaphthalene-2-carboxamide is Cc1c(C(=O)NCCOC2CCC2)ccc2c1=CC(CCCC1CCCCC1)CC=2.
What is the InChIKey of N-(2-cyclobutyloxyethyl)-7-(3-cyclohexylpropyl)-1-methyl-6,7-dihydronaphthalene-2-carboxamide?
The InChIKey is ISQLPAONBVYDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39NO2/c1-20-25(27(29)28-17-18-30-24-11-6-12-24)16-15-23-14-13-22(19-26(20)23)10-5-9-21-7-3-2-4-8-21/h14-16,19,21-22,24H,2-13,17-18H2,1H3,(H,28,29).
What are the key properties of N-(2-cyclobutyloxyethyl)-7-(3-cyclohexylpropyl)-1-methyl-6,7-dihydronaphthalene-2-carboxamide?
N-(2-cyclobutyloxyethyl)-7-(3-cyclohexylpropyl)-1-methyl-6,7-dihydronaphthalene-2-carboxamide has a molecular weight of 409.61 g/mol, XLogP of 4.63, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclobutyloxyethyl)-7-(3-cyclohexylpropyl)-1-methyl-6,7-dihydronaphthalene-2-carboxamide is sourced from PubChem (CID 123324024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).