N-(1-adamantylmethyl)-2-pyrrolidin-1-ylacetamide

C17H28N2O — CID 661136

IUPACN-(1-adamantylmethyl)-2-pyrrolidin-1-ylacetamide
SMILESO=C(CN1CCCC1)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H28N2O/c20-16(11-19-3-1-2-4-19)18-12-17-8-13-5-14(9-17)7-15(6-13)10-17/h13-15H,1-12H2,(H,18,20)
InChIKeyUXRMBEBGZQVSQU-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.41
Rot. Bonds4

About N-(1-adamantylmethyl)-2-pyrrolidin-1-ylacetamide

N-(1-adamantylmethyl)-2-pyrrolidin-1-ylacetamide (PubChem CID 661136) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-2-pyrrolidin-1-ylacetamide
PubChem CID661136
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-(1-adamantylmethyl)-2-pyrrolidin-1-ylacetamide
SMILESO=C(CN1CCCC1)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H28N2O/c20-16(11-19-3-1-2-4-19)18-12-17-8-13-5-14(9-17)7-15(6-13)10-17/h13-15H,1-12H2,(H,18,20)
InChIKeyUXRMBEBGZQVSQU-UHFFFAOYSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-(1-adamantylmethyl)-2-pyrrolidin-1-ylacetamide (CID 661136) is N-(1-adamantylmethyl)-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-(1-adamantylmethyl)-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-(1-adamantylmethyl)-2-pyrrolidin-1-ylacetamide is O=C(CN1CCCC1)NCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantylmethyl)-2-pyrrolidin-1-ylacetamide?
The InChIKey is UXRMBEBGZQVSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c20-16(11-19-3-1-2-4-19)18-12-17-8-13-5-14(9-17)7-15(6-13)10-17/h13-15H,1-12H2,(H,18,20).
What are the key properties of N-(1-adamantylmethyl)-2-pyrrolidin-1-ylacetamide?
N-(1-adamantylmethyl)-2-pyrrolidin-1-ylacetamide has a molecular weight of 276.42 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 661136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).