4-(3,3-dimethyl-2-naphthalen-1-yl-4-oxoazetidin-1-yl)adamantane-1-carboxamide

C26H30N2O2 — CID 59248918

IUPAC4-(3,3-dimethyl-2-naphthalen-1-yl-4-oxoazetidin-1-yl)adamantane-1-carboxamide
SMILESCC1(C)C(=O)N(C2C3CC4CC2CC(C(N)=O)(C4)C3)C1c1cccc2ccccc12
InChIInChI=1S/C26H30N2O2/c1-25(2)22(20-9-5-7-16-6-3-4-8-19(16)20)28(24(25)30)21-17-10-15-11-18(21)14-26(12-15,13-17)23(27)29/h3-9,15,17-18,21-22H,10-14H2,1-2H3,(H2,27,29)
InChIKeyJWCRTHLETKJHPZ-UHFFFAOYSA-N
MW402.54 g/mol
LogP4.43
Rot. Bonds3

About 4-(3,3-dimethyl-2-naphthalen-1-yl-4-oxoazetidin-1-yl)adamantane-1-carboxamide

4-(3,3-dimethyl-2-naphthalen-1-yl-4-oxoazetidin-1-yl)adamantane-1-carboxamide (PubChem CID 59248918) has the molecular formula C26H30N2O2 and a molecular weight of 402.54 g/mol. Its IUPAC name is 4-(3,3-dimethyl-2-naphthalen-1-yl-4-oxoazetidin-1-yl)adamantane-1-carboxamide.

Molecular Properties

Compound Name4-(3,3-dimethyl-2-naphthalen-1-yl-4-oxoazetidin-1-yl)adamantane-1-carboxamide
PubChem CID59248918
Molecular FormulaC26H30N2O2
Molecular Weight402.54 g/mol
Exact Mass402.23
IUPAC Name4-(3,3-dimethyl-2-naphthalen-1-yl-4-oxoazetidin-1-yl)adamantane-1-carboxamide
SMILESCC1(C)C(=O)N(C2C3CC4CC2CC(C(N)=O)(C4)C3)C1c1cccc2ccccc12
InChIInChI=1S/C26H30N2O2/c1-25(2)22(20-9-5-7-16-6-3-4-8-19(16)20)28(24(25)30)21-17-10-15-11-18(21)14-26(12-15,13-17)23(27)29/h3-9,15,17-18,21-22H,10-14H2,1-2H3,(H2,27,29)
InChIKeyJWCRTHLETKJHPZ-UHFFFAOYSA-N
XLogP4.43
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethyl-2-naphthalen-1-yl-4-oxoazetidin-1-yl)adamantane-1-carboxamide?
The IUPAC name of 4-(3,3-dimethyl-2-naphthalen-1-yl-4-oxoazetidin-1-yl)adamantane-1-carboxamide (CID 59248918) is 4-(3,3-dimethyl-2-naphthalen-1-yl-4-oxoazetidin-1-yl)adamantane-1-carboxamide.
What is the SMILES notation for 4-(3,3-dimethyl-2-naphthalen-1-yl-4-oxoazetidin-1-yl)adamantane-1-carboxamide?
The canonical SMILES for 4-(3,3-dimethyl-2-naphthalen-1-yl-4-oxoazetidin-1-yl)adamantane-1-carboxamide is CC1(C)C(=O)N(C2C3CC4CC2CC(C(N)=O)(C4)C3)C1c1cccc2ccccc12.
What is the InChIKey of 4-(3,3-dimethyl-2-naphthalen-1-yl-4-oxoazetidin-1-yl)adamantane-1-carboxamide?
The InChIKey is JWCRTHLETKJHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O2/c1-25(2)22(20-9-5-7-16-6-3-4-8-19(16)20)28(24(25)30)21-17-10-15-11-18(21)14-26(12-15,13-17)23(27)29/h3-9,15,17-18,21-22H,10-14H2,1-2H3,(H2,27,29).
What are the key properties of 4-(3,3-dimethyl-2-naphthalen-1-yl-4-oxoazetidin-1-yl)adamantane-1-carboxamide?
4-(3,3-dimethyl-2-naphthalen-1-yl-4-oxoazetidin-1-yl)adamantane-1-carboxamide has a molecular weight of 402.54 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethyl-2-naphthalen-1-yl-4-oxoazetidin-1-yl)adamantane-1-carboxamide is sourced from PubChem (CID 59248918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).