N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]adamantane-1-carboxamide

C24H28N2O3 — CID 33126209

IUPACN-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]adamantane-1-carboxamide
SMILESCOc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1OCc1ccncc1
InChIInChI=1S/C24H28N2O3/c1-28-21-3-2-20(11-22(21)29-15-16-4-6-25-7-5-16)26-23(27)24-12-17-8-18(13-24)10-19(9-17)14-24/h2-7,11,17-19H,8-10,12-15H2,1H3,(H,26,27)
InChIKeyUUEHMNVUNCKUMR-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.82
Rot. Bonds6

About N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]adamantane-1-carboxamide

N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]adamantane-1-carboxamide (PubChem CID 33126209) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]adamantane-1-carboxamide
PubChem CID33126209
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC NameN-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]adamantane-1-carboxamide
SMILESCOc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1OCc1ccncc1
InChIInChI=1S/C24H28N2O3/c1-28-21-3-2-20(11-22(21)29-15-16-4-6-25-7-5-16)26-23(27)24-12-17-8-18(13-24)10-19(9-17)14-24/h2-7,11,17-19H,8-10,12-15H2,1H3,(H,26,27)
InChIKeyUUEHMNVUNCKUMR-UHFFFAOYSA-N
XLogP4.82
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,3-N-bis(3,4-dimethoxyphenyl)adamantane-1,3-dicarboxamide
CID 2964586
2-(4-chlorophenyl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]acetamide
CID 38628569
4-hydroxy-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119848523
4-acetamido-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]benzamide
CID 43068273
3,5-dichloro-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]benzamide
CID 46427791
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-4-(methylamino)butanamide
CID 119848510
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]piperidine-3-carboxamide
CID 119848502
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 43068303
2-(2,4-dimethoxyphenyl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]acetamide
CID 43068317
3,5-dichloro-4-methoxy-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]benzamide
CID 46448262
N-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]adamantane-1-carboxamide
CID 16762834
N-(4-ethoxy-3-fluorophenyl)adamantane-1-carboxamide
CID 60538227

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]adamantane-1-carboxamide?
The IUPAC name of N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]adamantane-1-carboxamide (CID 33126209) is N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]adamantane-1-carboxamide?
The canonical SMILES for N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]adamantane-1-carboxamide is COc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1OCc1ccncc1.
What is the InChIKey of N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]adamantane-1-carboxamide?
The InChIKey is UUEHMNVUNCKUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-28-21-3-2-20(11-22(21)29-15-16-4-6-25-7-5-16)26-23(27)24-12-17-8-18(13-24)10-19(9-17)14-24/h2-7,11,17-19H,8-10,12-15H2,1H3,(H,26,27).
What are the key properties of N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]adamantane-1-carboxamide?
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]adamantane-1-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]adamantane-1-carboxamide is sourced from PubChem (CID 33126209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).