N-(3-methylbutyl)adamantane-1-carboxamide

C16H27NO — CID 585483

IUPACN-(3-methylbutyl)adamantane-1-carboxamide
SMILESCC(C)CCNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H27NO/c1-11(2)3-4-17-15(18)16-8-12-5-13(9-16)7-14(6-12)10-16/h11-14H,3-10H2,1-2H3,(H,17,18)
InChIKeyYUHKKJFSBYURCI-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.37
Rot. Bonds4

About N-(3-methylbutyl)adamantane-1-carboxamide

N-(3-methylbutyl)adamantane-1-carboxamide (PubChem CID 585483) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-(3-methylbutyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)adamantane-1-carboxamide
PubChem CID585483
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-(3-methylbutyl)adamantane-1-carboxamide
SMILESCC(C)CCNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H27NO/c1-11(2)3-4-17-15(18)16-8-12-5-13(9-16)7-14(6-12)10-16/h11-14H,3-10H2,1-2H3,(H,17,18)
InChIKeyYUHKKJFSBYURCI-UHFFFAOYSA-N
XLogP3.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)adamantane-1-carboxamide?
The IUPAC name of N-(3-methylbutyl)adamantane-1-carboxamide (CID 585483) is N-(3-methylbutyl)adamantane-1-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)adamantane-1-carboxamide?
The canonical SMILES for N-(3-methylbutyl)adamantane-1-carboxamide is CC(C)CCNC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(3-methylbutyl)adamantane-1-carboxamide?
The InChIKey is YUHKKJFSBYURCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-11(2)3-4-17-15(18)16-8-12-5-13(9-16)7-14(6-12)10-16/h11-14H,3-10H2,1-2H3,(H,17,18).
What are the key properties of N-(3-methylbutyl)adamantane-1-carboxamide?
N-(3-methylbutyl)adamantane-1-carboxamide has a molecular weight of 249.40 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)adamantane-1-carboxamide is sourced from PubChem (CID 585483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).