N-(2-hydroxy-4-methylpentyl)-3-methyladamantane-1-carboxamide

C18H31NO2 — CID 107155296

IUPACN-(2-hydroxy-4-methylpentyl)-3-methyladamantane-1-carboxamide
SMILESCC(C)CC(O)CNC(=O)C12CC3CC(CC(C)(C3)C1)C2
InChIInChI=1S/C18H31NO2/c1-12(2)4-15(20)10-19-16(21)18-8-13-5-14(9-18)7-17(3,6-13)11-18/h12-15,20H,4-11H2,1-3H3,(H,19,21)
InChIKeyVLBGRNQJTDKYPZ-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.12
Rot. Bonds5

About N-(2-hydroxy-4-methylpentyl)-3-methyladamantane-1-carboxamide

N-(2-hydroxy-4-methylpentyl)-3-methyladamantane-1-carboxamide (PubChem CID 107155296) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is N-(2-hydroxy-4-methylpentyl)-3-methyladamantane-1-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methylpentyl)-3-methyladamantane-1-carboxamide
PubChem CID107155296
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC NameN-(2-hydroxy-4-methylpentyl)-3-methyladamantane-1-carboxamide
SMILESCC(C)CC(O)CNC(=O)C12CC3CC(CC(C)(C3)C1)C2
InChIInChI=1S/C18H31NO2/c1-12(2)4-15(20)10-19-16(21)18-8-13-5-14(9-18)7-17(3,6-13)11-18/h12-15,20H,4-11H2,1-3H3,(H,19,21)
InChIKeyVLBGRNQJTDKYPZ-UHFFFAOYSA-N
XLogP3.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methylpentyl)-3-methyladamantane-1-carboxamide?
The IUPAC name of N-(2-hydroxy-4-methylpentyl)-3-methyladamantane-1-carboxamide (CID 107155296) is N-(2-hydroxy-4-methylpentyl)-3-methyladamantane-1-carboxamide.
What is the SMILES notation for N-(2-hydroxy-4-methylpentyl)-3-methyladamantane-1-carboxamide?
The canonical SMILES for N-(2-hydroxy-4-methylpentyl)-3-methyladamantane-1-carboxamide is CC(C)CC(O)CNC(=O)C12CC3CC(CC(C)(C3)C1)C2.
What is the InChIKey of N-(2-hydroxy-4-methylpentyl)-3-methyladamantane-1-carboxamide?
The InChIKey is VLBGRNQJTDKYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-12(2)4-15(20)10-19-16(21)18-8-13-5-14(9-18)7-17(3,6-13)11-18/h12-15,20H,4-11H2,1-3H3,(H,19,21).
What are the key properties of N-(2-hydroxy-4-methylpentyl)-3-methyladamantane-1-carboxamide?
N-(2-hydroxy-4-methylpentyl)-3-methyladamantane-1-carboxamide has a molecular weight of 293.45 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methylpentyl)-3-methyladamantane-1-carboxamide is sourced from PubChem (CID 107155296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).