N-methyl-N-[2-(oxan-2-yl)ethyl]adamantane-1-carboxamide

C19H31NO2 — CID 110604888

IUPACN-methyl-N-[2-(oxan-2-yl)ethyl]adamantane-1-carboxamide
SMILESCN(CCC1CCCCO1)C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H31NO2/c1-20(6-5-17-4-2-3-7-22-17)18(21)19-11-14-8-15(12-19)10-16(9-14)13-19/h14-17H,2-13H2,1H3
InChIKeyCLJQSGXWNUPPKP-UHFFFAOYSA-N
MW305.46 g/mol
LogP3.62
Rot. Bonds4

About N-methyl-N-[2-(oxan-2-yl)ethyl]adamantane-1-carboxamide

N-methyl-N-[2-(oxan-2-yl)ethyl]adamantane-1-carboxamide (PubChem CID 110604888) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is N-methyl-N-[2-(oxan-2-yl)ethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-(oxan-2-yl)ethyl]adamantane-1-carboxamide
PubChem CID110604888
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC NameN-methyl-N-[2-(oxan-2-yl)ethyl]adamantane-1-carboxamide
SMILESCN(CCC1CCCCO1)C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H31NO2/c1-20(6-5-17-4-2-3-7-22-17)18(21)19-11-14-8-15(12-19)10-16(9-14)13-19/h14-17H,2-13H2,1H3
InChIKeyCLJQSGXWNUPPKP-UHFFFAOYSA-N
XLogP3.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,3-trimethyl-3-[2-(oxan-2-yl)ethyl]urea
CID 110604883
5-[methyl-[2-[(2S)-oxan-2-yl]ethyl]amino]-5-oxopentanoic acid
CID 126440241
N-methyl-N-(oxan-4-ylmethyl)adamantane-1-carboxamide
CID 110752440
1-methyl-3-(3-methylbutyl)-1-[2-(oxan-2-yl)ethyl]urea
CID 110426616
3-(2-methoxyethyl)-1-methyl-1-[2-(oxan-2-yl)ethyl]urea
CID 110426615
3-(2-ethyl-5-oxopyrrolidin-2-yl)-N-methyl-N-[2-(oxan-2-yl)ethyl]propanamide
CID 45169089
4-(3,4-dimethylphenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-4-oxobutanamide
CID 110614236
N-[[(2R)-oxolan-2-yl]methyl]adamantane-1-carboxamide
CID 7079712
N-methyl-N-[2-(oxan-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 77091135
N-(dimethylsulfamoyl)-N-methyl-2-(oxan-2-yl)ethanamine
CID 110671768
N-methyl-2-(1-methylpyrrol-2-yl)-N-[2-[(2R)-oxan-2-yl]ethyl]-2-oxoacetamide
CID 99927104
3-(2-chloro-5-methylphenyl)-1-methyl-1-[2-[(2R)-oxan-2-yl]ethyl]urea
CID 97279208

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(oxan-2-yl)ethyl]adamantane-1-carboxamide?
The IUPAC name of N-methyl-N-[2-(oxan-2-yl)ethyl]adamantane-1-carboxamide (CID 110604888) is N-methyl-N-[2-(oxan-2-yl)ethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-methyl-N-[2-(oxan-2-yl)ethyl]adamantane-1-carboxamide?
The canonical SMILES for N-methyl-N-[2-(oxan-2-yl)ethyl]adamantane-1-carboxamide is CN(CCC1CCCCO1)C(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-methyl-N-[2-(oxan-2-yl)ethyl]adamantane-1-carboxamide?
The InChIKey is CLJQSGXWNUPPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2/c1-20(6-5-17-4-2-3-7-22-17)18(21)19-11-14-8-15(12-19)10-16(9-14)13-19/h14-17H,2-13H2,1H3.
What are the key properties of N-methyl-N-[2-(oxan-2-yl)ethyl]adamantane-1-carboxamide?
N-methyl-N-[2-(oxan-2-yl)ethyl]adamantane-1-carboxamide has a molecular weight of 305.46 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(oxan-2-yl)ethyl]adamantane-1-carboxamide is sourced from PubChem (CID 110604888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).