2-[1-(1-adamantyl)pyrrolidin-2-yl]acetamide

C16H26N2O — CID 69085045

IUPAC2-[1-(1-adamantyl)pyrrolidin-2-yl]acetamide
SMILESNC(=O)CC1CCCN1C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H26N2O/c17-15(19)7-14-2-1-3-18(14)16-8-11-4-12(9-16)6-13(5-11)10-16/h11-14H,1-10H2,(H2,17,19)
InChIKeyXWVXHPARHKIXPU-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.30
Rot. Bonds3

About 2-[1-(1-adamantyl)pyrrolidin-2-yl]acetamide

2-[1-(1-adamantyl)pyrrolidin-2-yl]acetamide (PubChem CID 69085045) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-[1-(1-adamantyl)pyrrolidin-2-yl]acetamide.

Molecular Properties

Compound Name2-[1-(1-adamantyl)pyrrolidin-2-yl]acetamide
PubChem CID69085045
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-[1-(1-adamantyl)pyrrolidin-2-yl]acetamide
SMILESNC(=O)CC1CCCN1C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H26N2O/c17-15(19)7-14-2-1-3-18(14)16-8-11-4-12(9-16)6-13(5-11)10-16/h11-14H,1-10H2,(H2,17,19)
InChIKeyXWVXHPARHKIXPU-UHFFFAOYSA-N
XLogP2.30
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-methylpyrrolidin-2-yl)acetamide;hydrochloride
CID 67492380
[1-(1-adamantyl)pyrrolidin-2-yl] dihydrogen phosphate
CID 141236154
2-(1-acetylpyrrolidin-2-yl)acetamide
CID 127011222
2-(1-cyclooctylpyrrolidin-2-yl)acetamide;methane
CID 173136750
N-[[(2R)-1-(1-adamantyl)pyrrolidin-2-yl]methyl]-4-bromo-1-methoxynaphthalene-2-carboxamide
CID 10672913
2-[1-[(2S)-2-aminopropanoyl]piperidin-2-yl]acetamide;hydrochloride
CID 119307888
tert-butyl (2S)-2-(2-amino-2-oxoethyl)pyrrolidine-1-carboxylate
CID 129403343
1-(adamantane-1-carbonyl)piperidine-3-carboxamide
CID 128950015
adamantane-1-carboxamide
CID 21686
2-(1-adamantylsulfanyl)acetamide
CID 2828179
1-adamantyl-[2-(2-chloroethyl)piperidin-1-yl]methanone
CID 63393538
1-[(2S)-1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]piperidine-4-carboxamide
CID 51969018

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-adamantyl)pyrrolidin-2-yl]acetamide?
The IUPAC name of 2-[1-(1-adamantyl)pyrrolidin-2-yl]acetamide (CID 69085045) is 2-[1-(1-adamantyl)pyrrolidin-2-yl]acetamide.
What is the SMILES notation for 2-[1-(1-adamantyl)pyrrolidin-2-yl]acetamide?
The canonical SMILES for 2-[1-(1-adamantyl)pyrrolidin-2-yl]acetamide is NC(=O)CC1CCCN1C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-[1-(1-adamantyl)pyrrolidin-2-yl]acetamide?
The InChIKey is XWVXHPARHKIXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c17-15(19)7-14-2-1-3-18(14)16-8-11-4-12(9-16)6-13(5-11)10-16/h11-14H,1-10H2,(H2,17,19).
What are the key properties of 2-[1-(1-adamantyl)pyrrolidin-2-yl]acetamide?
2-[1-(1-adamantyl)pyrrolidin-2-yl]acetamide has a molecular weight of 262.40 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-adamantyl)pyrrolidin-2-yl]acetamide is sourced from PubChem (CID 69085045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).