N-[2-hydroxy-2-(4-methylcyclohexyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C21H31NO2 — CID 166350982

IUPACN-[2-hydroxy-2-(4-methylcyclohexyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCC1CCC(C(C)(O)CNC(=O)c2ccc3c(c2)CCCC3)CC1
InChIInChI=1S/C21H31NO2/c1-15-7-11-19(12-8-15)21(2,24)14-22-20(23)18-10-9-16-5-3-4-6-17(16)13-18/h9-10,13,15,19,24H,3-8,11-12,14H2,1-2H3,(H,22,23)
InChIKeySLQVJZJZDFNRRH-UHFFFAOYSA-N
MW329.48 g/mol
LogP3.87
Rot. Bonds4

About N-[2-hydroxy-2-(4-methylcyclohexyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

N-[2-hydroxy-2-(4-methylcyclohexyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 166350982) has the molecular formula C21H31NO2 and a molecular weight of 329.48 g/mol. Its IUPAC name is N-[2-hydroxy-2-(4-methylcyclohexyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(4-methylcyclohexyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID166350982
Molecular FormulaC21H31NO2
Molecular Weight329.48 g/mol
Exact Mass329.24
IUPAC NameN-[2-hydroxy-2-(4-methylcyclohexyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCC1CCC(C(C)(O)CNC(=O)c2ccc3c(c2)CCCC3)CC1
InChIInChI=1S/C21H31NO2/c1-15-7-11-19(12-8-15)21(2,24)14-22-20(23)18-10-9-16-5-3-4-6-17(16)13-18/h9-10,13,15,19,24H,3-8,11-12,14H2,1-2H3,(H,22,23)
InChIKeySLQVJZJZDFNRRH-UHFFFAOYSA-N
XLogP3.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.48
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-hydroxy-2,2-dimethylbutyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 103824963
N-[2-oxo-2-(propan-2-ylamino)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 9300971
N-(3-hydroxy-2-methylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 65037202
N-(2-cyclopentylsulfanylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100706753
N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-4-(trifluoromethoxy)benzamide
CID 95986148
N-(2-cyclopropyl-2-hydroxypropyl)-2,4-dimethylbenzamide
CID 90499259
N-(2-methylsulfonylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 60545524
2-cyclohexyl-1-(2,3-dihydro-1H-inden-5-ylmethylamino)propan-2-ol
CID 166350957
N-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide;hydrochloride
CID 119382194
N-[(1S,2R)-2-methylcyclohexyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 9272837
3-(2,3-dihydro-1H-indene-5-carbonylamino)-2-methylpropanoic acid
CID 55105106
[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 7715008

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(4-methylcyclohexyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-[2-hydroxy-2-(4-methylcyclohexyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 166350982) is N-[2-hydroxy-2-(4-methylcyclohexyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-[2-hydroxy-2-(4-methylcyclohexyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-[2-hydroxy-2-(4-methylcyclohexyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is CC1CCC(C(C)(O)CNC(=O)c2ccc3c(c2)CCCC3)CC1.
What is the InChIKey of N-[2-hydroxy-2-(4-methylcyclohexyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is SLQVJZJZDFNRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NO2/c1-15-7-11-19(12-8-15)21(2,24)14-22-20(23)18-10-9-16-5-3-4-6-17(16)13-18/h9-10,13,15,19,24H,3-8,11-12,14H2,1-2H3,(H,22,23).
What are the key properties of N-[2-hydroxy-2-(4-methylcyclohexyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
N-[2-hydroxy-2-(4-methylcyclohexyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 329.48 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(4-methylcyclohexyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 166350982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).