N-[(1R,2R)-2-acetamidocyclohexyl]dodecanamide

C20H38N2O2 — CID 158939000

IUPACN-[(1R,2R)-2-acetamidocyclohexyl]dodecanamide
SMILESCCCCCCCCCCCC(=O)N[C@@H]1CCCC[C@H]1NC(C)=O
InChIInChI=1S/C20H38N2O2/c1-3-4-5-6-7-8-9-10-11-16-20(24)22-19-15-13-12-14-18(19)21-17(2)23/h18-19H,3-16H2,1-2H3,(H,21,23)(H,22,24)/t18-,19-/m1/s1
InChIKeyYSQGNGJTKANEIS-RTBURBONSA-N
MW338.54 g/mol
LogP4.47
Rot. Bonds12

About N-[(1R,2R)-2-acetamidocyclohexyl]dodecanamide

N-[(1R,2R)-2-acetamidocyclohexyl]dodecanamide (PubChem CID 158939000) has the molecular formula C20H38N2O2 and a molecular weight of 338.54 g/mol. Its IUPAC name is N-[(1R,2R)-2-acetamidocyclohexyl]dodecanamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-acetamidocyclohexyl]dodecanamide
PubChem CID158939000
Molecular FormulaC20H38N2O2
Molecular Weight338.54 g/mol
Exact Mass338.29
IUPAC NameN-[(1R,2R)-2-acetamidocyclohexyl]dodecanamide
SMILESCCCCCCCCCCCC(=O)N[C@@H]1CCCC[C@H]1NC(C)=O
InChIInChI=1S/C20H38N2O2/c1-3-4-5-6-7-8-9-10-11-16-20(24)22-19-15-13-12-14-18(19)21-17(2)23/h18-19H,3-16H2,1-2H3,(H,21,23)(H,22,24)/t18-,19-/m1/s1
InChIKeyYSQGNGJTKANEIS-RTBURBONSA-N
XLogP4.47
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.54
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dodecanoylamino)cyclohexyl]dodecanamide
CID 10299379
N-[(1R,2R)-2-aminocyclohexyl]decanamide
CID 103805740
N-(2-bromocyclohexyl)heptanamide
CID 114754026
N-[(1R,2R)-2-aminocyclohexyl]nonanamide
CID 103805764
N-(2-chlorocyclopentyl)dodecanamide
CID 106444076
N-(2-chlorocyclopentyl)nonanamide
CID 106443674
N-(2,3-dimethylcyclohexyl)tridecanamide
CID 57307251
N-[2-(hydroxymethyl)cyclopentyl]nonanamide
CID 103774038
N-cyclohexyltetradecanamide
CID 10244853
N-cycloheptylnonanamide
CID 5045141
N-[2-(chloromethyl)cyclopentyl]nonanamide
CID 114179441
N-(2,3-dimethylcyclohexyl)decanamide;ethane
CID 143436811

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-acetamidocyclohexyl]dodecanamide?
The IUPAC name of N-[(1R,2R)-2-acetamidocyclohexyl]dodecanamide (CID 158939000) is N-[(1R,2R)-2-acetamidocyclohexyl]dodecanamide.
What is the SMILES notation for N-[(1R,2R)-2-acetamidocyclohexyl]dodecanamide?
The canonical SMILES for N-[(1R,2R)-2-acetamidocyclohexyl]dodecanamide is CCCCCCCCCCCC(=O)N[C@@H]1CCCC[C@H]1NC(C)=O.
What is the InChIKey of N-[(1R,2R)-2-acetamidocyclohexyl]dodecanamide?
The InChIKey is YSQGNGJTKANEIS-RTBURBONSA-N. The full InChI is InChI=1S/C20H38N2O2/c1-3-4-5-6-7-8-9-10-11-16-20(24)22-19-15-13-12-14-18(19)21-17(2)23/h18-19H,3-16H2,1-2H3,(H,21,23)(H,22,24)/t18-,19-/m1/s1.
What are the key properties of N-[(1R,2R)-2-acetamidocyclohexyl]dodecanamide?
N-[(1R,2R)-2-acetamidocyclohexyl]dodecanamide has a molecular weight of 338.54 g/mol, XLogP of 4.47, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-acetamidocyclohexyl]dodecanamide is sourced from PubChem (CID 158939000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).