2-(3,5-dimethyl-1-adamantyl)-N-(3-hydroxycyclobutyl)acetamide

C18H29NO2 — CID 79988578

IUPAC2-(3,5-dimethyl-1-adamantyl)-N-(3-hydroxycyclobutyl)acetamide
SMILESCC12CC3CC(C)(C1)CC(CC(=O)NC1CC(O)C1)(C3)C2
InChIInChI=1S/C18H29NO2/c1-16-5-12-6-17(2,9-16)11-18(7-12,10-16)8-15(21)19-13-3-14(20)4-13/h12-14,20H,3-11H2,1-2H3,(H,19,21)
InChIKeyAECURVIXAKQNDS-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.01
Rot. Bonds3

About 2-(3,5-dimethyl-1-adamantyl)-N-(3-hydroxycyclobutyl)acetamide

2-(3,5-dimethyl-1-adamantyl)-N-(3-hydroxycyclobutyl)acetamide (PubChem CID 79988578) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1-adamantyl)-N-(3-hydroxycyclobutyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1-adamantyl)-N-(3-hydroxycyclobutyl)acetamide
PubChem CID79988578
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name2-(3,5-dimethyl-1-adamantyl)-N-(3-hydroxycyclobutyl)acetamide
SMILESCC12CC3CC(C)(C1)CC(CC(=O)NC1CC(O)C1)(C3)C2
InChIInChI=1S/C18H29NO2/c1-16-5-12-6-17(2,9-16)11-18(7-12,10-16)8-15(21)19-13-3-14(20)4-13/h12-14,20H,3-11H2,1-2H3,(H,19,21)
InChIKeyAECURVIXAKQNDS-UHFFFAOYSA-N
XLogP3.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminocyclobutyl)-2-(3,5-dimethyl-1-adamantyl)acetamide
CID 79988454
2-(3,5-dimethyl-1-adamantyl)-N-methylacetamide
CID 79986924
N-(3-hydroxycyclobutyl)-3,5-dimethyladamantane-1-carboxamide
CID 79998220
2-(3,5-dimethyl-1-adamantyl)acetic acid
CID 4067589
2-(3,5-dimethyl-1-adamantyl)-N-(2-methylpropyl)acetamide
CID 79986456
2-(3,5-dimethyl-1-adamantyl)-N-(3-hydroxybutyl)acetamide
CID 79989463
N-(3-aminobutyl)-2-(3,5-dimethyl-1-adamantyl)acetamide
CID 79988209
N-(2-cyanopropan-2-yl)-2-(3,5-dimethyl-1-adamantyl)acetamide
CID 79989309
2-(3,5-dimethyl-1-adamantyl)-N-pent-1-yn-3-ylacetamide
CID 106228055
1-(3,5-dimethyl-1-adamantyl)-3,3-difluorobutan-2-one
CID 58122773
2-(3,5-dimethyl-1-adamantyl)-N-(1H-pyrazol-5-yl)acetamide
CID 79988841
2-(1-adamantyl)-N-(2-methylpiperidin-4-yl)acetamide
CID 106995576

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1-adamantyl)-N-(3-hydroxycyclobutyl)acetamide?
The IUPAC name of 2-(3,5-dimethyl-1-adamantyl)-N-(3-hydroxycyclobutyl)acetamide (CID 79988578) is 2-(3,5-dimethyl-1-adamantyl)-N-(3-hydroxycyclobutyl)acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1-adamantyl)-N-(3-hydroxycyclobutyl)acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1-adamantyl)-N-(3-hydroxycyclobutyl)acetamide is CC12CC3CC(C)(C1)CC(CC(=O)NC1CC(O)C1)(C3)C2.
What is the InChIKey of 2-(3,5-dimethyl-1-adamantyl)-N-(3-hydroxycyclobutyl)acetamide?
The InChIKey is AECURVIXAKQNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-16-5-12-6-17(2,9-16)11-18(7-12,10-16)8-15(21)19-13-3-14(20)4-13/h12-14,20H,3-11H2,1-2H3,(H,19,21).
What are the key properties of 2-(3,5-dimethyl-1-adamantyl)-N-(3-hydroxycyclobutyl)acetamide?
2-(3,5-dimethyl-1-adamantyl)-N-(3-hydroxycyclobutyl)acetamide has a molecular weight of 291.44 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1-adamantyl)-N-(3-hydroxycyclobutyl)acetamide is sourced from PubChem (CID 79988578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).