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

C26H30N2O2 — CID 46184586

IUPAC(3S)-4-(3,3-dimethyl-2-naphthalen-1-yl-4-oxoazetidin-1-yl)adamantane-1-carboxamide
SMILESCC1(C)C(=O)N(C2C3CC4C[C@H]2CC(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)/t15?,17-,18?,21?,22?,26?/m0/s1
InChIKeyJWCRTHLETKJHPZ-RVKDFECISA-N
MW402.54 g/mol
LogP4.43
Rot. Bonds3

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

(3S)-4-(3,3-dimethyl-2-naphthalen-1-yl-4-oxoazetidin-1-yl)adamantane-1-carboxamide (PubChem CID 46184586) has the molecular formula C26H30N2O2 and a molecular weight of 402.54 g/mol. Its IUPAC name is (3S)-4-(3,3-dimethyl-2-naphthalen-1-yl-4-oxoazetidin-1-yl)adamantane-1-carboxamide.

Molecular Properties

Compound Name(3S)-4-(3,3-dimethyl-2-naphthalen-1-yl-4-oxoazetidin-1-yl)adamantane-1-carboxamide
PubChem CID46184586
Molecular FormulaC26H30N2O2
Molecular Weight402.54 g/mol
Exact Mass402.23
IUPAC Name(3S)-4-(3,3-dimethyl-2-naphthalen-1-yl-4-oxoazetidin-1-yl)adamantane-1-carboxamide
SMILESCC1(C)C(=O)N(C2C3CC4C[C@H]2CC(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)/t15?,17-,18?,21?,22?,26?/m0/s1
InChIKeyJWCRTHLETKJHPZ-RVKDFECISA-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

Analyze (3S)-4-(3,3-dimethyl-2-naphthalen-1-yl-4-oxoazetidin-1-yl)adamantane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-4-(3,3-dimethyl-2-naphthalen-1-yl-4-oxoazetidin-1-yl)adamantane-1-carboxamide?
The IUPAC name of (3S)-4-(3,3-dimethyl-2-naphthalen-1-yl-4-oxoazetidin-1-yl)adamantane-1-carboxamide (CID 46184586) is (3S)-4-(3,3-dimethyl-2-naphthalen-1-yl-4-oxoazetidin-1-yl)adamantane-1-carboxamide.
What is the SMILES notation for (3S)-4-(3,3-dimethyl-2-naphthalen-1-yl-4-oxoazetidin-1-yl)adamantane-1-carboxamide?
The canonical SMILES for (3S)-4-(3,3-dimethyl-2-naphthalen-1-yl-4-oxoazetidin-1-yl)adamantane-1-carboxamide is CC1(C)C(=O)N(C2C3CC4C[C@H]2CC(C(N)=O)(C4)C3)C1c1cccc2ccccc12.
What is the InChIKey of (3S)-4-(3,3-dimethyl-2-naphthalen-1-yl-4-oxoazetidin-1-yl)adamantane-1-carboxamide?
The InChIKey is JWCRTHLETKJHPZ-RVKDFECISA-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)/t15?,17-,18?,21?,22?,26?/m0/s1.
What are the key properties of (3S)-4-(3,3-dimethyl-2-naphthalen-1-yl-4-oxoazetidin-1-yl)adamantane-1-carboxamide?
(3S)-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 (3S)-4-(3,3-dimethyl-2-naphthalen-1-yl-4-oxoazetidin-1-yl)adamantane-1-carboxamide is sourced from PubChem (CID 46184586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).