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

C16H29NO2 — CID 115767243

IUPACN-(1-hydroxypentan-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
SMILESCCC(CCO)NC(=O)C1CCC2CCCCC2C1
InChIInChI=1S/C16H29NO2/c1-2-15(9-10-18)17-16(19)14-8-7-12-5-3-4-6-13(12)11-14/h12-15,18H,2-11H2,1H3,(H,17,19)
InChIKeyOJLFXFBKECWNKF-UHFFFAOYSA-N
MW267.41 g/mol
LogP2.87
Rot. Bonds5

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

N-(1-hydroxypentan-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide (PubChem CID 115767243) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is N-(1-hydroxypentan-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxypentan-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
PubChem CID115767243
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC NameN-(1-hydroxypentan-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
SMILESCCC(CCO)NC(=O)C1CCC2CCCCC2C1
InChIInChI=1S/C16H29NO2/c1-2-15(9-10-18)17-16(19)14-8-7-12-5-3-4-6-13(12)11-14/h12-15,18H,2-11H2,1H3,(H,17,19)
InChIKeyOJLFXFBKECWNKF-UHFFFAOYSA-N
XLogP2.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(1-hydroxypentan-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide with MolForge

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Related Compounds

2-cyclohexyl-N-[(3S)-1-hydroxy-4-methylpentan-3-yl]acetamide
CID 97012317
N-(4-methyloxolan-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
CID 138027293
N-(3-Hydroxypropyl)-2-(isopropyl)-5-methylcyclohexanecarboxamide
CID 3016103
N-(2,2-difluoro-3-hydroxypropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
CID 104857234
N-(4-hydroxycyclohexyl)-3-propan-2-ylcyclohexane-1-carboxamide
CID 20697997
2-ethyl-N-(4-hydroxycyclohexyl)-4-propan-2-ylcyclohexane-1-carboxamide
CID 20724647
N-(1-hydroxy-3-methylbutan-2-yl)-4-propan-2-ylcyclohexane-1-carboxamide
CID 123548106
(1R,2S,5R)-N-[(2R)-2-amino-3-hydroxypropyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 126617381
N-cyclohexyl-3-hydroxy-4-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
CID 140418321
N-cyclohexyl-1-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
CID 140490432
N-(2-hydroxycyclohexyl)-2-[4-(2-methylpropyl)cyclohexyl]propanamide
CID 140640628
(1R,2S,5R)-5-methyl-N-(oxan-4-yl)-2-propan-2-ylcyclohexane-1-carboxamide
CID 172390041

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypentan-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide?
The IUPAC name of N-(1-hydroxypentan-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide (CID 115767243) is N-(1-hydroxypentan-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-(1-hydroxypentan-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide?
The canonical SMILES for N-(1-hydroxypentan-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide is CCC(CCO)NC(=O)C1CCC2CCCCC2C1.
What is the InChIKey of N-(1-hydroxypentan-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide?
The InChIKey is OJLFXFBKECWNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-2-15(9-10-18)17-16(19)14-8-7-12-5-3-4-6-13(12)11-14/h12-15,18H,2-11H2,1H3,(H,17,19).
What are the key properties of N-(1-hydroxypentan-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide?
N-(1-hydroxypentan-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide has a molecular weight of 267.41 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypentan-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide is sourced from PubChem (CID 115767243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).