N-methyl-N-(oxan-4-ylmethyl)adamantane-1-carboxamide

C18H29NO2 — CID 110752440

IUPACN-methyl-N-(oxan-4-ylmethyl)adamantane-1-carboxamide
SMILESCN(CC1CCOCC1)C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H29NO2/c1-19(12-13-2-4-21-5-3-13)17(20)18-9-14-6-15(10-18)8-16(7-14)11-18/h13-16H,2-12H2,1H3
InChIKeyXVDBLDFIPAGPKK-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.09
Rot. Bonds3

About N-methyl-N-(oxan-4-ylmethyl)adamantane-1-carboxamide

N-methyl-N-(oxan-4-ylmethyl)adamantane-1-carboxamide (PubChem CID 110752440) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-methyl-N-(oxan-4-ylmethyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(oxan-4-ylmethyl)adamantane-1-carboxamide
PubChem CID110752440
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-methyl-N-(oxan-4-ylmethyl)adamantane-1-carboxamide
SMILESCN(CC1CCOCC1)C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H29NO2/c1-19(12-13-2-4-21-5-3-13)17(20)18-9-14-6-15(10-18)8-16(7-14)11-18/h13-16H,2-12H2,1H3
InChIKeyXVDBLDFIPAGPKK-UHFFFAOYSA-N
XLogP3.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxan-4-ylmethyl)adamantane-1-carboxamide?
The IUPAC name of N-methyl-N-(oxan-4-ylmethyl)adamantane-1-carboxamide (CID 110752440) is N-methyl-N-(oxan-4-ylmethyl)adamantane-1-carboxamide.
What is the SMILES notation for N-methyl-N-(oxan-4-ylmethyl)adamantane-1-carboxamide?
The canonical SMILES for N-methyl-N-(oxan-4-ylmethyl)adamantane-1-carboxamide is CN(CC1CCOCC1)C(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-methyl-N-(oxan-4-ylmethyl)adamantane-1-carboxamide?
The InChIKey is XVDBLDFIPAGPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-19(12-13-2-4-21-5-3-13)17(20)18-9-14-6-15(10-18)8-16(7-14)11-18/h13-16H,2-12H2,1H3.
What are the key properties of N-methyl-N-(oxan-4-ylmethyl)adamantane-1-carboxamide?
N-methyl-N-(oxan-4-ylmethyl)adamantane-1-carboxamide has a molecular weight of 291.44 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxan-4-ylmethyl)adamantane-1-carboxamide is sourced from PubChem (CID 110752440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).