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

C18H31NO2 — CID 79989463

IUPAC2-(3,5-dimethyl-1-adamantyl)-N-(3-hydroxybutyl)acetamide
SMILESCC(O)CCNC(=O)CC12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C18H31NO2/c1-13(20)4-5-19-15(21)9-18-8-14-6-16(2,11-18)10-17(3,7-14)12-18/h13-14,20H,4-12H2,1-3H3,(H,19,21)
InChIKeyYDHCEAFQVFLQSO-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.26
Rot. Bonds5

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

2-(3,5-dimethyl-1-adamantyl)-N-(3-hydroxybutyl)acetamide (PubChem CID 79989463) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1-adamantyl)-N-(3-hydroxybutyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1-adamantyl)-N-(3-hydroxybutyl)acetamide
PubChem CID79989463
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name2-(3,5-dimethyl-1-adamantyl)-N-(3-hydroxybutyl)acetamide
SMILESCC(O)CCNC(=O)CC12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C18H31NO2/c1-13(20)4-5-19-15(21)9-18-8-14-6-16(2,11-18)10-17(3,7-14)12-18/h13-14,20H,4-12H2,1-3H3,(H,19,21)
InChIKeyYDHCEAFQVFLQSO-UHFFFAOYSA-N
XLogP3.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminobutyl)-2-(3,5-dimethyl-1-adamantyl)acetamide
CID 79988209
2-(3,5-dimethyl-1-adamantyl)-N-(2-methylpropyl)acetamide
CID 79986456
2-(3,5-dimethyl-1-adamantyl)-N-methylacetamide
CID 79986924
2-(3,5-dimethyl-1-adamantyl)-N-(3-hydroxycyclobutyl)acetamide
CID 79988578
N-(3-aminocyclobutyl)-2-(3,5-dimethyl-1-adamantyl)acetamide
CID 79988454
2-(3,5-dimethyl-1-adamantyl)acetic acid
CID 4067589
2-[(3S,5S)-3,5-dimethyl-1-adamantyl]-N-[2-(3-methoxyphenoxy)ethyl]acetamide
CID 98079939
2-(3,5-dimethyl-1-adamantyl)-N-pent-1-yn-3-ylacetamide
CID 106228055
N-(2-cyanopropan-2-yl)-2-(3,5-dimethyl-1-adamantyl)acetamide
CID 79989309
2-[2-(3,5-dimethyl-1-adamantyl)acetyl]propanedinitrile
CID 79986230
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

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1-adamantyl)-N-(3-hydroxybutyl)acetamide?
The IUPAC name of 2-(3,5-dimethyl-1-adamantyl)-N-(3-hydroxybutyl)acetamide (CID 79989463) is 2-(3,5-dimethyl-1-adamantyl)-N-(3-hydroxybutyl)acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1-adamantyl)-N-(3-hydroxybutyl)acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1-adamantyl)-N-(3-hydroxybutyl)acetamide is CC(O)CCNC(=O)CC12CC3CC(C)(CC(C)(C3)C1)C2.
What is the InChIKey of 2-(3,5-dimethyl-1-adamantyl)-N-(3-hydroxybutyl)acetamide?
The InChIKey is YDHCEAFQVFLQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-13(20)4-5-19-15(21)9-18-8-14-6-16(2,11-18)10-17(3,7-14)12-18/h13-14,20H,4-12H2,1-3H3,(H,19,21).
What are the key properties of 2-(3,5-dimethyl-1-adamantyl)-N-(3-hydroxybutyl)acetamide?
2-(3,5-dimethyl-1-adamantyl)-N-(3-hydroxybutyl)acetamide has a molecular weight of 293.45 g/mol, XLogP of 3.26, 5 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-hydroxybutyl)acetamide is sourced from PubChem (CID 79989463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).