N-(4-methyl-2-oxochromen-7-yl)adamantane-1-carboxamide

C21H23NO3 — CID 26053155

IUPACN-(4-methyl-2-oxochromen-7-yl)adamantane-1-carboxamide
SMILESCc1cc(=O)oc2cc(NC(=O)C34CC5CC(CC(C5)C3)C4)ccc12
InChIInChI=1S/C21H23NO3/c1-12-4-19(23)25-18-8-16(2-3-17(12)18)22-20(24)21-9-13-5-14(10-21)7-15(6-13)11-21/h2-4,8,13-15H,5-7,9-11H2,1H3,(H,22,24)
InChIKeyXDLPIGLLXNJWHB-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.26
Rot. Bonds2

About N-(4-methyl-2-oxochromen-7-yl)adamantane-1-carboxamide

N-(4-methyl-2-oxochromen-7-yl)adamantane-1-carboxamide (PubChem CID 26053155) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-(4-methyl-2-oxochromen-7-yl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-2-oxochromen-7-yl)adamantane-1-carboxamide
PubChem CID26053155
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC NameN-(4-methyl-2-oxochromen-7-yl)adamantane-1-carboxamide
SMILESCc1cc(=O)oc2cc(NC(=O)C34CC5CC(CC(C5)C3)C4)ccc12
InChIInChI=1S/C21H23NO3/c1-12-4-19(23)25-18-8-16(2-3-17(12)18)22-20(24)21-9-13-5-14(10-21)7-15(6-13)11-21/h2-4,8,13-15H,5-7,9-11H2,1H3,(H,22,24)
InChIKeyXDLPIGLLXNJWHB-UHFFFAOYSA-N
XLogP4.26
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[[2-(1-adamantyl)acetyl]amino] N-(4-methyl-2-oxochromen-7-yl)carbamate
CID 72712579
N-(4-methyl-2-oxochromen-7-yl)cyclopropanecarboxamide
CID 26878502
1-[4-(1-adamantylsulfamoyl)phenyl]-3-(4-methyl-2-oxochromen-7-yl)thiourea
CID 19679150
N-(4-methyl-2-oxochromen-7-yl)-5-oxopyrrolidine-2-carboxamide
CID 5102257
(1R,2S,5R)-5-methyl-N-(4-methyl-2-oxochromen-7-yl)-2-propan-2-ylcyclohexane-1-carboxamide
CID 87414752
2-amino-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 688482
1-tert-butyl-3-(4-methyl-2-oxochromen-7-yl)urea
CID 110749119
N-(4-methyl-2-oxochromen-7-yl)pyridine-4-carboxamide
CID 18170333
4-methyl-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carbothioamide
CID 17270256
N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]adamantane-1-carboxamide
CID 7687446
4-bromo-N-(4-methyl-2-oxochromen-7-yl)benzamide
CID 2675719
N-(1,3-benzoxazol-6-yl)adamantane-1-carboxamide
CID 110728889

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-oxochromen-7-yl)adamantane-1-carboxamide?
The IUPAC name of N-(4-methyl-2-oxochromen-7-yl)adamantane-1-carboxamide (CID 26053155) is N-(4-methyl-2-oxochromen-7-yl)adamantane-1-carboxamide.
What is the SMILES notation for N-(4-methyl-2-oxochromen-7-yl)adamantane-1-carboxamide?
The canonical SMILES for N-(4-methyl-2-oxochromen-7-yl)adamantane-1-carboxamide is Cc1cc(=O)oc2cc(NC(=O)C34CC5CC(CC(C5)C3)C4)ccc12.
What is the InChIKey of N-(4-methyl-2-oxochromen-7-yl)adamantane-1-carboxamide?
The InChIKey is XDLPIGLLXNJWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c1-12-4-19(23)25-18-8-16(2-3-17(12)18)22-20(24)21-9-13-5-14(10-21)7-15(6-13)11-21/h2-4,8,13-15H,5-7,9-11H2,1H3,(H,22,24).
What are the key properties of N-(4-methyl-2-oxochromen-7-yl)adamantane-1-carboxamide?
N-(4-methyl-2-oxochromen-7-yl)adamantane-1-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-oxochromen-7-yl)adamantane-1-carboxamide is sourced from PubChem (CID 26053155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).