1-N,3-N-di(propan-2-yl)adamantane-1,3-dicarboxamide

C18H30N2O2 — CID 2882568

IUPAC1-N,3-N-di(propan-2-yl)adamantane-1,3-dicarboxamide
SMILESCC(C)NC(=O)C12CC3CC(C1)CC(C(=O)NC(C)C)(C3)C2
InChIInChI=1S/C18H30N2O2/c1-11(2)19-15(21)17-6-13-5-14(7-17)9-18(8-13,10-17)16(22)20-12(3)4/h11-14H,5-10H2,1-4H3,(H,19,21)(H,20,22)
InChIKeySVRRDBKVONDYNR-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.62
Rot. Bonds4

About 1-N,3-N-di(propan-2-yl)adamantane-1,3-dicarboxamide

1-N,3-N-di(propan-2-yl)adamantane-1,3-dicarboxamide (PubChem CID 2882568) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 1-N,3-N-di(propan-2-yl)adamantane-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,3-N-di(propan-2-yl)adamantane-1,3-dicarboxamide
PubChem CID2882568
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name1-N,3-N-di(propan-2-yl)adamantane-1,3-dicarboxamide
SMILESCC(C)NC(=O)C12CC3CC(C1)CC(C(=O)NC(C)C)(C3)C2
InChIInChI=1S/C18H30N2O2/c1-11(2)19-15(21)17-6-13-5-14(7-17)9-18(8-13,10-17)16(22)20-12(3)4/h11-14H,5-10H2,1-4H3,(H,19,21)(H,20,22)
InChIKeySVRRDBKVONDYNR-UHFFFAOYSA-N
XLogP2.62
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.62
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-di(propan-2-yl)adamantane-1,3-dicarboxamide?
The IUPAC name of 1-N,3-N-di(propan-2-yl)adamantane-1,3-dicarboxamide (CID 2882568) is 1-N,3-N-di(propan-2-yl)adamantane-1,3-dicarboxamide.
What is the SMILES notation for 1-N,3-N-di(propan-2-yl)adamantane-1,3-dicarboxamide?
The canonical SMILES for 1-N,3-N-di(propan-2-yl)adamantane-1,3-dicarboxamide is CC(C)NC(=O)C12CC3CC(C1)CC(C(=O)NC(C)C)(C3)C2.
What is the InChIKey of 1-N,3-N-di(propan-2-yl)adamantane-1,3-dicarboxamide?
The InChIKey is SVRRDBKVONDYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-11(2)19-15(21)17-6-13-5-14(7-17)9-18(8-13,10-17)16(22)20-12(3)4/h11-14H,5-10H2,1-4H3,(H,19,21)(H,20,22).
What are the key properties of 1-N,3-N-di(propan-2-yl)adamantane-1,3-dicarboxamide?
1-N,3-N-di(propan-2-yl)adamantane-1,3-dicarboxamide has a molecular weight of 306.45 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-di(propan-2-yl)adamantane-1,3-dicarboxamide is sourced from PubChem (CID 2882568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).