1-N,3-N-ditert-butyladamantane-1,3-dicarboxamide

C20H34N2O2 — CID 2888578

IUPAC1-N,3-N-ditert-butyladamantane-1,3-dicarboxamide
SMILESCC(C)(C)NC(=O)C12CC3CC(C1)CC(C(=O)NC(C)(C)C)(C3)C2
InChIInChI=1S/C20H34N2O2/c1-17(2,3)21-15(23)19-8-13-7-14(9-19)11-20(10-13,12-19)16(24)22-18(4,5)6/h13-14H,7-12H2,1-6H3,(H,21,23)(H,22,24)
InChIKeyUCVNRQSDCDXLQO-UHFFFAOYSA-N
MW334.50 g/mol
LogP3.40
Rot. Bonds2

About 1-N,3-N-ditert-butyladamantane-1,3-dicarboxamide

1-N,3-N-ditert-butyladamantane-1,3-dicarboxamide (PubChem CID 2888578) has the molecular formula C20H34N2O2 and a molecular weight of 334.50 g/mol. Its IUPAC name is 1-N,3-N-ditert-butyladamantane-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,3-N-ditert-butyladamantane-1,3-dicarboxamide
PubChem CID2888578
Molecular FormulaC20H34N2O2
Molecular Weight334.50 g/mol
Exact Mass334.26
IUPAC Name1-N,3-N-ditert-butyladamantane-1,3-dicarboxamide
SMILESCC(C)(C)NC(=O)C12CC3CC(C1)CC(C(=O)NC(C)(C)C)(C3)C2
InChIInChI=1S/C20H34N2O2/c1-17(2,3)21-15(23)19-8-13-7-14(9-19)11-20(10-13,12-19)16(24)22-18(4,5)6/h13-14H,7-12H2,1-6H3,(H,21,23)(H,22,24)
InChIKeyUCVNRQSDCDXLQO-UHFFFAOYSA-N
XLogP3.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.50
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-ditert-butyladamantane-1,3-dicarboxamide?
The IUPAC name of 1-N,3-N-ditert-butyladamantane-1,3-dicarboxamide (CID 2888578) is 1-N,3-N-ditert-butyladamantane-1,3-dicarboxamide.
What is the SMILES notation for 1-N,3-N-ditert-butyladamantane-1,3-dicarboxamide?
The canonical SMILES for 1-N,3-N-ditert-butyladamantane-1,3-dicarboxamide is CC(C)(C)NC(=O)C12CC3CC(C1)CC(C(=O)NC(C)(C)C)(C3)C2.
What is the InChIKey of 1-N,3-N-ditert-butyladamantane-1,3-dicarboxamide?
The InChIKey is UCVNRQSDCDXLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O2/c1-17(2,3)21-15(23)19-8-13-7-14(9-19)11-20(10-13,12-19)16(24)22-18(4,5)6/h13-14H,7-12H2,1-6H3,(H,21,23)(H,22,24).
What are the key properties of 1-N,3-N-ditert-butyladamantane-1,3-dicarboxamide?
1-N,3-N-ditert-butyladamantane-1,3-dicarboxamide has a molecular weight of 334.50 g/mol, XLogP of 3.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-ditert-butyladamantane-1,3-dicarboxamide is sourced from PubChem (CID 2888578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).