2-[3-[2-oxo-2-(prop-2-enylamino)ethyl]-1-adamantyl]-N-prop-2-enylacetamide

C20H30N2O2 — CID 2955042

IUPAC2-[3-[2-oxo-2-(prop-2-enylamino)ethyl]-1-adamantyl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CC12CC3CC(C1)CC(CC(=O)NCC=C)(C3)C2
InChIInChI=1S/C20H30N2O2/c1-3-5-21-17(23)12-19-8-15-7-16(9-19)11-20(10-15,14-19)13-18(24)22-6-4-2/h3-4,15-16H,1-2,5-14H2,(H,21,23)(H,22,24)
InChIKeySQAPTCJEHXAHJC-UHFFFAOYSA-N
MW330.47 g/mol
LogP2.96
Rot. Bonds8

About 2-[3-[2-oxo-2-(prop-2-enylamino)ethyl]-1-adamantyl]-N-prop-2-enylacetamide

2-[3-[2-oxo-2-(prop-2-enylamino)ethyl]-1-adamantyl]-N-prop-2-enylacetamide (PubChem CID 2955042) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 2-[3-[2-oxo-2-(prop-2-enylamino)ethyl]-1-adamantyl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[3-[2-oxo-2-(prop-2-enylamino)ethyl]-1-adamantyl]-N-prop-2-enylacetamide
PubChem CID2955042
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name2-[3-[2-oxo-2-(prop-2-enylamino)ethyl]-1-adamantyl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CC12CC3CC(C1)CC(CC(=O)NCC=C)(C3)C2
InChIInChI=1S/C20H30N2O2/c1-3-5-21-17(23)12-19-8-15-7-16(9-19)11-20(10-15,14-19)13-18(24)22-6-4-2/h3-4,15-16H,1-2,5-14H2,(H,21,23)(H,22,24)
InChIKeySQAPTCJEHXAHJC-UHFFFAOYSA-N
XLogP2.96
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-oxo-2-(prop-2-enylamino)ethyl]-1-adamantyl]-N-prop-2-enylacetamide?
The IUPAC name of 2-[3-[2-oxo-2-(prop-2-enylamino)ethyl]-1-adamantyl]-N-prop-2-enylacetamide (CID 2955042) is 2-[3-[2-oxo-2-(prop-2-enylamino)ethyl]-1-adamantyl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[3-[2-oxo-2-(prop-2-enylamino)ethyl]-1-adamantyl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[3-[2-oxo-2-(prop-2-enylamino)ethyl]-1-adamantyl]-N-prop-2-enylacetamide is C=CCNC(=O)CC12CC3CC(C1)CC(CC(=O)NCC=C)(C3)C2.
What is the InChIKey of 2-[3-[2-oxo-2-(prop-2-enylamino)ethyl]-1-adamantyl]-N-prop-2-enylacetamide?
The InChIKey is SQAPTCJEHXAHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-3-5-21-17(23)12-19-8-15-7-16(9-19)11-20(10-15,14-19)13-18(24)22-6-4-2/h3-4,15-16H,1-2,5-14H2,(H,21,23)(H,22,24).
What are the key properties of 2-[3-[2-oxo-2-(prop-2-enylamino)ethyl]-1-adamantyl]-N-prop-2-enylacetamide?
2-[3-[2-oxo-2-(prop-2-enylamino)ethyl]-1-adamantyl]-N-prop-2-enylacetamide has a molecular weight of 330.47 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-oxo-2-(prop-2-enylamino)ethyl]-1-adamantyl]-N-prop-2-enylacetamide is sourced from PubChem (CID 2955042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).