N-(2-hydroxy-3-methylbutyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide

C16H29NO2 — CID 109478559

IUPACN-(2-hydroxy-3-methylbutyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
SMILESCC(C)C(O)CNC(=O)C1CCC2CCCCC2C1
InChIInChI=1S/C16H29NO2/c1-11(2)15(18)10-17-16(19)14-8-7-12-5-3-4-6-13(12)9-14/h11-15,18H,3-10H2,1-2H3,(H,17,19)
InChIKeySQFLLZDJTNXKEW-UHFFFAOYSA-N
MW267.41 g/mol
LogP2.73
Rot. Bonds4

About N-(2-hydroxy-3-methylbutyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide

N-(2-hydroxy-3-methylbutyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide (PubChem CID 109478559) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is N-(2-hydroxy-3-methylbutyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-methylbutyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
PubChem CID109478559
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC NameN-(2-hydroxy-3-methylbutyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
SMILESCC(C)C(O)CNC(=O)C1CCC2CCCCC2C1
InChIInChI=1S/C16H29NO2/c1-11(2)15(18)10-17-16(19)14-8-7-12-5-3-4-6-13(12)9-14/h11-15,18H,3-10H2,1-2H3,(H,17,19)
InChIKeySQFLLZDJTNXKEW-UHFFFAOYSA-N
XLogP2.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-4-methylpentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
CID 107157845
3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonylamino)-2-methoxypropanoic acid
CID 106107724
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-3-methylbutan-2-ol
CID 115720450
N-[2-(2-chloroethyl)pentyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
CID 106117756
4-tert-butyl-N-(2-hydroxy-3-methylbutyl)cyclohexane-1-carboxamide
CID 115744551
N-(2-hydroxy-3-methylbutyl)cyclopent-3-ene-1-carboxamide
CID 115701623
N-(1-amino-4-methylpentan-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
CID 106356963
N-(3-iodopropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
CID 114504183
N-(2-hydroxy-3-methylbutyl)-2-methylcyclopropane-1-carboxamide
CID 115701552
N-(2-hydroxypropyl)cyclopropanecarboxamide
CID 43392750
N-[(3-aminocyclopentyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
CID 106121226
N-(5-hydroxy-4,4-dimethylpentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
CID 109478612

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-methylbutyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide?
The IUPAC name of N-(2-hydroxy-3-methylbutyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide (CID 109478559) is N-(2-hydroxy-3-methylbutyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-3-methylbutyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-3-methylbutyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide is CC(C)C(O)CNC(=O)C1CCC2CCCCC2C1.
What is the InChIKey of N-(2-hydroxy-3-methylbutyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide?
The InChIKey is SQFLLZDJTNXKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-11(2)15(18)10-17-16(19)14-8-7-12-5-3-4-6-13(12)9-14/h11-15,18H,3-10H2,1-2H3,(H,17,19).
What are the key properties of N-(2-hydroxy-3-methylbutyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide?
N-(2-hydroxy-3-methylbutyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide has a molecular weight of 267.41 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-methylbutyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide is sourced from PubChem (CID 109478559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).