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

C18H30N2O — CID 79988454

IUPACN-(3-aminocyclobutyl)-2-(3,5-dimethyl-1-adamantyl)acetamide
SMILESCC12CC3CC(C)(C1)CC(CC(=O)NC1CC(N)C1)(C3)C2
InChIInChI=1S/C18H30N2O/c1-16-5-12-6-17(2,9-16)11-18(7-12,10-16)8-15(21)20-14-3-13(19)4-14/h12-14H,3-11,19H2,1-2H3,(H,20,21)
InChIKeyYLKPGSSDZAEOTC-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.98
Rot. Bonds3

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

N-(3-aminocyclobutyl)-2-(3,5-dimethyl-1-adamantyl)acetamide (PubChem CID 79988454) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-(3-aminocyclobutyl)-2-(3,5-dimethyl-1-adamantyl)acetamide.

Molecular Properties

Compound NameN-(3-aminocyclobutyl)-2-(3,5-dimethyl-1-adamantyl)acetamide
PubChem CID79988454
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-(3-aminocyclobutyl)-2-(3,5-dimethyl-1-adamantyl)acetamide
SMILESCC12CC3CC(C)(C1)CC(CC(=O)NC1CC(N)C1)(C3)C2
InChIInChI=1S/C18H30N2O/c1-16-5-12-6-17(2,9-16)11-18(7-12,10-16)8-15(21)20-14-3-13(19)4-14/h12-14H,3-11,19H2,1-2H3,(H,20,21)
InChIKeyYLKPGSSDZAEOTC-UHFFFAOYSA-N
XLogP2.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Tricyclo(3.3.1.13,7)decane-1-carboxamide, N-(2-(diethylamino)ethyl)-, hydrochloride (1:1)
CID 212874
2-Adamantan-1-yl-N-decyl-acetamide
CID 11382033
(alphaS)-alpha-Amino-N-(cyanomethyl)-N-ethyltricyclo[3.3.1.13,7]decane-1-acetamide
CID 23645896
(2S)-2-(adamantan-1-yl)-2-amino-N-[(1S)-1-cyanoethyl]acetamide
CID 23645892
(2S)-2-(adamantan-1-yl)-2-amino-N-(cyanomethyl)-N-propylacetamide
CID 23645897
2-(1-adamantyl)-N-cyclopropylacetamide
CID 5116038
N-Adamantan-2-yl-2-[1-(isobutylcarbamoyl-methyl)-cyclopentyl]-acetamide
CID 24825785
2-(adamantan-1-yl)-N-methylacetamide
CID 610088
N-[2-(diethylamino)ethyl]-3,5-dimethyl-1-adamantanecarboxamide hydrochloride
CID 2850702
Cambridge id 5561203
CID 2852753
N-[1-[2-(dimethylamino)ethylamino]-1-oxopropan-2-yl]adamantane-1-carboxamide;hydrochloride
CID 6603536
N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-[3-[2-[3-[4-(3-aminopropylamino)butylamino]propylamino]-2-oxoethyl]-1-adamantyl]acetamide
CID 10189295

Frequently Asked Questions

What is the IUPAC name of N-(3-aminocyclobutyl)-2-(3,5-dimethyl-1-adamantyl)acetamide?
The IUPAC name of N-(3-aminocyclobutyl)-2-(3,5-dimethyl-1-adamantyl)acetamide (CID 79988454) is N-(3-aminocyclobutyl)-2-(3,5-dimethyl-1-adamantyl)acetamide.
What is the SMILES notation for N-(3-aminocyclobutyl)-2-(3,5-dimethyl-1-adamantyl)acetamide?
The canonical SMILES for N-(3-aminocyclobutyl)-2-(3,5-dimethyl-1-adamantyl)acetamide is CC12CC3CC(C)(C1)CC(CC(=O)NC1CC(N)C1)(C3)C2.
What is the InChIKey of N-(3-aminocyclobutyl)-2-(3,5-dimethyl-1-adamantyl)acetamide?
The InChIKey is YLKPGSSDZAEOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-16-5-12-6-17(2,9-16)11-18(7-12,10-16)8-15(21)20-14-3-13(19)4-14/h12-14H,3-11,19H2,1-2H3,(H,20,21).
What are the key properties of N-(3-aminocyclobutyl)-2-(3,5-dimethyl-1-adamantyl)acetamide?
N-(3-aminocyclobutyl)-2-(3,5-dimethyl-1-adamantyl)acetamide has a molecular weight of 290.45 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminocyclobutyl)-2-(3,5-dimethyl-1-adamantyl)acetamide is sourced from PubChem (CID 79988454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).