N-(3,5-dimethyl-1-adamantyl)-2-(2-oxochromen-4-yl)oxypropanamide

C24H29NO4 — CID 71462079

IUPACN-(3,5-dimethyl-1-adamantyl)-2-(2-oxochromen-4-yl)oxypropanamide
SMILESCC(Oc1cc(=O)oc2ccccc12)C(=O)NC12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C24H29NO4/c1-15(28-19-8-20(26)29-18-7-5-4-6-17(18)19)21(27)25-24-11-16-9-22(2,13-24)12-23(3,10-16)14-24/h4-8,15-16H,9-14H2,1-3H3,(H,25,27)
InChIKeyFPELOZBZQOVRQQ-UHFFFAOYSA-N
MW395.50 g/mol
LogP4.43
Rot. Bonds4

About N-(3,5-dimethyl-1-adamantyl)-2-(2-oxochromen-4-yl)oxypropanamide

N-(3,5-dimethyl-1-adamantyl)-2-(2-oxochromen-4-yl)oxypropanamide (PubChem CID 71462079) has the molecular formula C24H29NO4 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-(3,5-dimethyl-1-adamantyl)-2-(2-oxochromen-4-yl)oxypropanamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1-adamantyl)-2-(2-oxochromen-4-yl)oxypropanamide
PubChem CID71462079
Molecular FormulaC24H29NO4
Molecular Weight395.50 g/mol
Exact Mass395.21
IUPAC NameN-(3,5-dimethyl-1-adamantyl)-2-(2-oxochromen-4-yl)oxypropanamide
SMILESCC(Oc1cc(=O)oc2ccccc12)C(=O)NC12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C24H29NO4/c1-15(28-19-8-20(26)29-18-7-5-4-6-17(18)19)21(27)25-24-11-16-9-22(2,13-24)12-23(3,10-16)14-24/h4-8,15-16H,9-14H2,1-3H3,(H,25,27)
InChIKeyFPELOZBZQOVRQQ-UHFFFAOYSA-N
XLogP4.43
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-adamantanyl(2-oxochromen-3-yl)carboxamide
CID 3454225
N-(1-Adamantyl)-2-phenoxyacetamide
CID 4042330
[2-(1-Adamantylamino)-2-oxoethyl] 2-phenoxyacetate
CID 5158793
1-(tert-Butylamino)-1-oxopropan-2-yl 2H-chromene-3-carboxylate
CID 3230491
[2-(1-Adamantylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 4803819
[2-(1-Adamantylamino)-2-oxoethyl] 2-methoxybenzoate
CID 4876909
N-1-adamantyl-2-(4-methylphenoxy)acetamide
CID 2877996
N-(1-adamantyl)-2-phenoxypropanamide
CID 2897874
N-(1-adamantyl)-2-(2-cyanophenoxy)acetamide
CID 3688284
2-[2-(1-Adamantylamino)-2-oxoethoxy]benzoic acid
CID 4127121
[2-(1-Adamantylamino)-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
CID 4153951
2-(Adamantan-1-YL)-N-(4-hydroxy-2-oxo-2H-chromen-3-YL)acetamide
CID 54688427

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1-adamantyl)-2-(2-oxochromen-4-yl)oxypropanamide?
The IUPAC name of N-(3,5-dimethyl-1-adamantyl)-2-(2-oxochromen-4-yl)oxypropanamide (CID 71462079) is N-(3,5-dimethyl-1-adamantyl)-2-(2-oxochromen-4-yl)oxypropanamide.
What is the SMILES notation for N-(3,5-dimethyl-1-adamantyl)-2-(2-oxochromen-4-yl)oxypropanamide?
The canonical SMILES for N-(3,5-dimethyl-1-adamantyl)-2-(2-oxochromen-4-yl)oxypropanamide is CC(Oc1cc(=O)oc2ccccc12)C(=O)NC12CC3CC(C)(CC(C)(C3)C1)C2.
What is the InChIKey of N-(3,5-dimethyl-1-adamantyl)-2-(2-oxochromen-4-yl)oxypropanamide?
The InChIKey is FPELOZBZQOVRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO4/c1-15(28-19-8-20(26)29-18-7-5-4-6-17(18)19)21(27)25-24-11-16-9-22(2,13-24)12-23(3,10-16)14-24/h4-8,15-16H,9-14H2,1-3H3,(H,25,27).
What are the key properties of N-(3,5-dimethyl-1-adamantyl)-2-(2-oxochromen-4-yl)oxypropanamide?
N-(3,5-dimethyl-1-adamantyl)-2-(2-oxochromen-4-yl)oxypropanamide has a molecular weight of 395.50 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1-adamantyl)-2-(2-oxochromen-4-yl)oxypropanamide is sourced from PubChem (CID 71462079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).