N-[1-(1-adamantyl)ethyl]-4-methylpentanamide

C18H31NO — CID 112789585

IUPACN-[1-(1-adamantyl)ethyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)NC(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H31NO/c1-12(2)4-5-17(20)19-13(3)18-9-14-6-15(10-18)8-16(7-14)11-18/h12-16H,4-11H2,1-3H3,(H,19,20)
InChIKeyRQHWDBBXDLTMCR-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.14
Rot. Bonds5

About N-[1-(1-adamantyl)ethyl]-4-methylpentanamide

N-[1-(1-adamantyl)ethyl]-4-methylpentanamide (PubChem CID 112789585) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is N-[1-(1-adamantyl)ethyl]-4-methylpentanamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)ethyl]-4-methylpentanamide
PubChem CID112789585
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC NameN-[1-(1-adamantyl)ethyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)NC(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H31NO/c1-12(2)4-5-17(20)19-13(3)18-9-14-6-15(10-18)8-16(7-14)11-18/h12-16H,4-11H2,1-3H3,(H,19,20)
InChIKeyRQHWDBBXDLTMCR-UHFFFAOYSA-N
XLogP4.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 8771959
N-[(1S)-1-(1-adamantyl)ethyl]-2-cyclopentylsulfanylacetamide
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N-[(1R)-1-(1-adamantyl)ethyl]adamantane-1-carboxamide
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1-[(1S)-1-(1-adamantyl)ethyl]-3-butylurea
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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)ethyl]-4-methylpentanamide?
The IUPAC name of N-[1-(1-adamantyl)ethyl]-4-methylpentanamide (CID 112789585) is N-[1-(1-adamantyl)ethyl]-4-methylpentanamide.
What is the SMILES notation for N-[1-(1-adamantyl)ethyl]-4-methylpentanamide?
The canonical SMILES for N-[1-(1-adamantyl)ethyl]-4-methylpentanamide is CC(C)CCC(=O)NC(C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)ethyl]-4-methylpentanamide?
The InChIKey is RQHWDBBXDLTMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-12(2)4-5-17(20)19-13(3)18-9-14-6-15(10-18)8-16(7-14)11-18/h12-16H,4-11H2,1-3H3,(H,19,20).
What are the key properties of N-[1-(1-adamantyl)ethyl]-4-methylpentanamide?
N-[1-(1-adamantyl)ethyl]-4-methylpentanamide has a molecular weight of 277.45 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)ethyl]-4-methylpentanamide is sourced from PubChem (CID 112789585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).