1-N,3-N-bis(prop-2-enyl)adamantane-1,3-dicarboxamide

C18H26N2O2 — CID 2210330

IUPAC1-N,3-N-bis(prop-2-enyl)adamantane-1,3-dicarboxamide
SMILESC=CCNC(=O)C12CC3CC(C1)CC(C(=O)NCC=C)(C3)C2
InChIInChI=1S/C18H26N2O2/c1-3-5-19-15(21)17-8-13-7-14(9-17)11-18(10-13,12-17)16(22)20-6-4-2/h3-4,13-14H,1-2,5-12H2,(H,19,21)(H,20,22)
InChIKeyVDKSAGKJKZHQHI-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.18
Rot. Bonds6

About 1-N,3-N-bis(prop-2-enyl)adamantane-1,3-dicarboxamide

1-N,3-N-bis(prop-2-enyl)adamantane-1,3-dicarboxamide (PubChem CID 2210330) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-N,3-N-bis(prop-2-enyl)adamantane-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,3-N-bis(prop-2-enyl)adamantane-1,3-dicarboxamide
PubChem CID2210330
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name1-N,3-N-bis(prop-2-enyl)adamantane-1,3-dicarboxamide
SMILESC=CCNC(=O)C12CC3CC(C1)CC(C(=O)NCC=C)(C3)C2
InChIInChI=1S/C18H26N2O2/c1-3-5-19-15(21)17-8-13-7-14(9-17)11-18(10-13,12-17)16(22)20-6-4-2/h3-4,13-14H,1-2,5-12H2,(H,19,21)(H,20,22)
InChIKeyVDKSAGKJKZHQHI-UHFFFAOYSA-N
XLogP2.18
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.18
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 1-N,3-N-bis(prop-2-enyl)adamantane-1,3-dicarboxamide?
The IUPAC name of 1-N,3-N-bis(prop-2-enyl)adamantane-1,3-dicarboxamide (CID 2210330) is 1-N,3-N-bis(prop-2-enyl)adamantane-1,3-dicarboxamide.
What is the SMILES notation for 1-N,3-N-bis(prop-2-enyl)adamantane-1,3-dicarboxamide?
The canonical SMILES for 1-N,3-N-bis(prop-2-enyl)adamantane-1,3-dicarboxamide is C=CCNC(=O)C12CC3CC(C1)CC(C(=O)NCC=C)(C3)C2.
What is the InChIKey of 1-N,3-N-bis(prop-2-enyl)adamantane-1,3-dicarboxamide?
The InChIKey is VDKSAGKJKZHQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-3-5-19-15(21)17-8-13-7-14(9-17)11-18(10-13,12-17)16(22)20-6-4-2/h3-4,13-14H,1-2,5-12H2,(H,19,21)(H,20,22).
What are the key properties of 1-N,3-N-bis(prop-2-enyl)adamantane-1,3-dicarboxamide?
1-N,3-N-bis(prop-2-enyl)adamantane-1,3-dicarboxamide has a molecular weight of 302.42 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-bis(prop-2-enyl)adamantane-1,3-dicarboxamide is sourced from PubChem (CID 2210330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).