N-(3-methoxypropyl)adamantane-1-carboxamide

C15H25NO2 — CID 2805242

IUPACN-(3-methoxypropyl)adamantane-1-carboxamide
SMILESCOCCCNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H25NO2/c1-18-4-2-3-16-14(17)15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13H,2-10H2,1H3,(H,16,17)
InChIKeyJQTKYUWZCWBCCH-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.36
Rot. Bonds5

About N-(3-methoxypropyl)adamantane-1-carboxamide

N-(3-methoxypropyl)adamantane-1-carboxamide (PubChem CID 2805242) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N-(3-methoxypropyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)adamantane-1-carboxamide
PubChem CID2805242
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN-(3-methoxypropyl)adamantane-1-carboxamide
SMILESCOCCCNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H25NO2/c1-18-4-2-3-16-14(17)15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13H,2-10H2,1H3,(H,16,17)
InChIKeyJQTKYUWZCWBCCH-UHFFFAOYSA-N
XLogP2.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[3-(2-methoxyethoxy)propylamino]-3-oxopropyl]adamantane-1-carboxamide
CID 55407932
N-(3-aminopropyl)adamantane-1-carboxamide
CID 3117359
N-(4-iodobutyl)adamantane-1-carboxamide
CID 106846336
N-(2-methoxyethoxy)adamantane-1-carboxamide
CID 110642715
N-(5-bromopentyl)adamantane-1-carboxamide
CID 107321772
N-[3-(cyclopropylamino)propyl]adamantane-1-carboxamide
CID 43596349
7-(adamantane-1-carbonylamino)heptanoic acid
CID 71700197
N-[2-(dimethylamino)ethyl]adamantane-1-carboxamide
CID 3041449
1-(1-adamantyl)-2-(2-methoxyethylamino)ethanone;hydrochloride
CID 2941897
2-(adamantane-1-carbonylamino)ethyl-diethylazanium
CID 4997383
2-[2-(adamantane-1-carbonylamino)ethoxy]acetate
CID 7057481
3-(adamantane-1-carbonylamino)propyl-dodecyl-dimethylazanium
CID 54370824

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)adamantane-1-carboxamide?
The IUPAC name of N-(3-methoxypropyl)adamantane-1-carboxamide (CID 2805242) is N-(3-methoxypropyl)adamantane-1-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)adamantane-1-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)adamantane-1-carboxamide is COCCCNC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(3-methoxypropyl)adamantane-1-carboxamide?
The InChIKey is JQTKYUWZCWBCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-18-4-2-3-16-14(17)15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13H,2-10H2,1H3,(H,16,17).
What are the key properties of N-(3-methoxypropyl)adamantane-1-carboxamide?
N-(3-methoxypropyl)adamantane-1-carboxamide has a molecular weight of 251.37 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)adamantane-1-carboxamide is sourced from PubChem (CID 2805242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).