(E)-N-(1-adamantyl)-3-(4-methoxynaphthalen-1-yl)prop-2-enamide

C24H27NO2 — CID 11462580

IUPAC(E)-N-(1-adamantyl)-3-(4-methoxynaphthalen-1-yl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NC23CC4CC(CC(C4)C2)C3)c2ccccc12
InChIInChI=1S/C24H27NO2/c1-27-22-8-6-19(20-4-2-3-5-21(20)22)7-9-23(26)25-24-13-16-10-17(14-24)12-18(11-16)15-24/h2-9,16-18H,10-15H2,1H3,(H,25,26)/b9-7+
InChIKeyYMPBCZWAOYIFHD-VQHVLOKHSA-N
MW361.49 g/mol
LogP4.95
Rot. Bonds4

About (E)-N-(1-adamantyl)-3-(4-methoxynaphthalen-1-yl)prop-2-enamide

(E)-N-(1-adamantyl)-3-(4-methoxynaphthalen-1-yl)prop-2-enamide (PubChem CID 11462580) has the molecular formula C24H27NO2 and a molecular weight of 361.49 g/mol. Its IUPAC name is (E)-N-(1-adamantyl)-3-(4-methoxynaphthalen-1-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(1-adamantyl)-3-(4-methoxynaphthalen-1-yl)prop-2-enamide
PubChem CID11462580
Molecular FormulaC24H27NO2
Molecular Weight361.49 g/mol
Exact Mass361.20
IUPAC Name(E)-N-(1-adamantyl)-3-(4-methoxynaphthalen-1-yl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NC23CC4CC(CC(C4)C2)C3)c2ccccc12
InChIInChI=1S/C24H27NO2/c1-27-22-8-6-19(20-4-2-3-5-21(20)22)7-9-23(26)25-24-13-16-10-17(14-24)12-18(11-16)15-24/h2-9,16-18H,10-15H2,1H3,(H,25,26)/b9-7+
InChIKeyYMPBCZWAOYIFHD-VQHVLOKHSA-N
XLogP4.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(1-adamantyl)-3-(4-methoxynaphthalen-1-yl)prop-2-enamide?
The IUPAC name of (E)-N-(1-adamantyl)-3-(4-methoxynaphthalen-1-yl)prop-2-enamide (CID 11462580) is (E)-N-(1-adamantyl)-3-(4-methoxynaphthalen-1-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(1-adamantyl)-3-(4-methoxynaphthalen-1-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(1-adamantyl)-3-(4-methoxynaphthalen-1-yl)prop-2-enamide is COc1ccc(/C=C/C(=O)NC23CC4CC(CC(C4)C2)C3)c2ccccc12.
What is the InChIKey of (E)-N-(1-adamantyl)-3-(4-methoxynaphthalen-1-yl)prop-2-enamide?
The InChIKey is YMPBCZWAOYIFHD-VQHVLOKHSA-N. The full InChI is InChI=1S/C24H27NO2/c1-27-22-8-6-19(20-4-2-3-5-21(20)22)7-9-23(26)25-24-13-16-10-17(14-24)12-18(11-16)15-24/h2-9,16-18H,10-15H2,1H3,(H,25,26)/b9-7+.
What are the key properties of (E)-N-(1-adamantyl)-3-(4-methoxynaphthalen-1-yl)prop-2-enamide?
(E)-N-(1-adamantyl)-3-(4-methoxynaphthalen-1-yl)prop-2-enamide has a molecular weight of 361.49 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-adamantyl)-3-(4-methoxynaphthalen-1-yl)prop-2-enamide is sourced from PubChem (CID 11462580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).