2-[[2-(1-adamantylamino)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide

C18H31N3O2 — CID 27651341

IUPAC2-[[2-(1-adamantylamino)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)CC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H31N3O2/c1-12(2)19-16(22)10-21(3)11-17(23)20-18-7-13-4-14(8-18)6-15(5-13)9-18/h12-15H,4-11H2,1-3H3,(H,19,22)(H,20,23)
InChIKeySTFRUUSYNIODPV-UHFFFAOYSA-N
MW321.46 g/mol
LogP1.53
Rot. Bonds6

About 2-[[2-(1-adamantylamino)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide

2-[[2-(1-adamantylamino)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide (PubChem CID 27651341) has the molecular formula C18H31N3O2 and a molecular weight of 321.46 g/mol. Its IUPAC name is 2-[[2-(1-adamantylamino)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[2-(1-adamantylamino)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
PubChem CID27651341
Molecular FormulaC18H31N3O2
Molecular Weight321.46 g/mol
Exact Mass321.24
IUPAC Name2-[[2-(1-adamantylamino)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)CC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H31N3O2/c1-12(2)19-16(22)10-21(3)11-17(23)20-18-7-13-4-14(8-18)6-15(5-13)9-18/h12-15H,4-11H2,1-3H3,(H,19,22)(H,20,23)
InChIKeySTFRUUSYNIODPV-UHFFFAOYSA-N
XLogP1.53
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-adamantylamino)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[2-(1-adamantylamino)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide (CID 27651341) is 2-[[2-(1-adamantylamino)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[2-(1-adamantylamino)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[2-(1-adamantylamino)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide is CC(C)NC(=O)CN(C)CC(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-[[2-(1-adamantylamino)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide?
The InChIKey is STFRUUSYNIODPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2/c1-12(2)19-16(22)10-21(3)11-17(23)20-18-7-13-4-14(8-18)6-15(5-13)9-18/h12-15H,4-11H2,1-3H3,(H,19,22)(H,20,23).
What are the key properties of 2-[[2-(1-adamantylamino)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide?
2-[[2-(1-adamantylamino)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide has a molecular weight of 321.46 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-adamantylamino)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 27651341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).