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

C18H32N2O — CID 79988209

IUPACN-(3-aminobutyl)-2-(3,5-dimethyl-1-adamantyl)acetamide
SMILESCC(N)CCNC(=O)CC12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C18H32N2O/c1-13(19)4-5-20-15(21)9-18-8-14-6-16(2,11-18)10-17(3,7-14)12-18/h13-14H,4-12,19H2,1-3H3,(H,20,21)
InChIKeyGJZWQKQZWRVFOH-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.23
Rot. Bonds5

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

N-(3-aminobutyl)-2-(3,5-dimethyl-1-adamantyl)acetamide (PubChem CID 79988209) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is N-(3-aminobutyl)-2-(3,5-dimethyl-1-adamantyl)acetamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-2-(3,5-dimethyl-1-adamantyl)acetamide
PubChem CID79988209
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC NameN-(3-aminobutyl)-2-(3,5-dimethyl-1-adamantyl)acetamide
SMILESCC(N)CCNC(=O)CC12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C18H32N2O/c1-13(19)4-5-20-15(21)9-18-8-14-6-16(2,11-18)10-17(3,7-14)12-18/h13-14H,4-12,19H2,1-3H3,(H,20,21)
InChIKeyGJZWQKQZWRVFOH-UHFFFAOYSA-N
XLogP3.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-2-(3,5-dimethyl-1-adamantyl)acetamide?
The IUPAC name of N-(3-aminobutyl)-2-(3,5-dimethyl-1-adamantyl)acetamide (CID 79988209) is N-(3-aminobutyl)-2-(3,5-dimethyl-1-adamantyl)acetamide.
What is the SMILES notation for N-(3-aminobutyl)-2-(3,5-dimethyl-1-adamantyl)acetamide?
The canonical SMILES for N-(3-aminobutyl)-2-(3,5-dimethyl-1-adamantyl)acetamide is CC(N)CCNC(=O)CC12CC3CC(C)(CC(C)(C3)C1)C2.
What is the InChIKey of N-(3-aminobutyl)-2-(3,5-dimethyl-1-adamantyl)acetamide?
The InChIKey is GJZWQKQZWRVFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-13(19)4-5-20-15(21)9-18-8-14-6-16(2,11-18)10-17(3,7-14)12-18/h13-14H,4-12,19H2,1-3H3,(H,20,21).
What are the key properties of N-(3-aminobutyl)-2-(3,5-dimethyl-1-adamantyl)acetamide?
N-(3-aminobutyl)-2-(3,5-dimethyl-1-adamantyl)acetamide has a molecular weight of 292.47 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-2-(3,5-dimethyl-1-adamantyl)acetamide is sourced from PubChem (CID 79988209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).