N-(1-adamantyl)-2-(5-formyl-2-methoxyphenoxy)acetamide

C20H25NO4 — CID 7611574

IUPACN-(1-adamantyl)-2-(5-formyl-2-methoxyphenoxy)acetamide
SMILESCOc1ccc(C=O)cc1OCC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H25NO4/c1-24-17-3-2-13(11-22)7-18(17)25-12-19(23)21-20-8-14-4-15(9-20)6-16(5-14)10-20/h2-3,7,11,14-16H,4-6,8-10,12H2,1H3,(H,21,23)
InChIKeyUXBKWKYIAMUYCB-UHFFFAOYSA-N
MW343.42 g/mol
LogP2.97
Rot. Bonds6

About N-(1-adamantyl)-2-(5-formyl-2-methoxyphenoxy)acetamide

N-(1-adamantyl)-2-(5-formyl-2-methoxyphenoxy)acetamide (PubChem CID 7611574) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is N-(1-adamantyl)-2-(5-formyl-2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-(5-formyl-2-methoxyphenoxy)acetamide
PubChem CID7611574
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC NameN-(1-adamantyl)-2-(5-formyl-2-methoxyphenoxy)acetamide
SMILESCOc1ccc(C=O)cc1OCC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H25NO4/c1-24-17-3-2-13(11-22)7-18(17)25-12-19(23)21-20-8-14-4-15(9-20)6-16(5-14)10-20/h2-3,7,11,14-16H,4-6,8-10,12H2,1H3,(H,21,23)
InChIKeyUXBKWKYIAMUYCB-UHFFFAOYSA-N
XLogP2.97
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(1-adamantylamino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7903727
(E)-N-(1-adamantyl)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]prop-2-enamide
CID 36675680
N-(1-adamantyl)-2-(2,6-dimethoxy-4-methylphenoxy)acetamide
CID 3901343
N-(1-adamantyl)-2-(3,5-dimethoxyphenoxy)acetamide
CID 7707186
N-(1-adamantyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 3608484
N-[(1R)-1-(1-adamantyl)ethyl]-2-(2-ethoxy-4-formylphenoxy)acetamide
CID 8009776
N-carbamoyl-2-(4-formyl-2-methoxyphenoxy)acetamide
CID 24694058
2-(5-formyl-2-methoxyphenoxy)-N-phenylacetamide
CID 7611771
N-(1-adamantyl)-2-(2-hydroxyphenoxy)acetamide
CID 78773695
[2-(1-adamantylamino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 7811763
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-formyl-2-methoxyphenoxy)acetamide
CID 7611948
N-(4-bromophenyl)-2-(5-formyl-2-methoxyphenoxy)acetamide
CID 7611543

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-(5-formyl-2-methoxyphenoxy)acetamide?
The IUPAC name of N-(1-adamantyl)-2-(5-formyl-2-methoxyphenoxy)acetamide (CID 7611574) is N-(1-adamantyl)-2-(5-formyl-2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-(1-adamantyl)-2-(5-formyl-2-methoxyphenoxy)acetamide?
The canonical SMILES for N-(1-adamantyl)-2-(5-formyl-2-methoxyphenoxy)acetamide is COc1ccc(C=O)cc1OCC(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-2-(5-formyl-2-methoxyphenoxy)acetamide?
The InChIKey is UXBKWKYIAMUYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-24-17-3-2-13(11-22)7-18(17)25-12-19(23)21-20-8-14-4-15(9-20)6-16(5-14)10-20/h2-3,7,11,14-16H,4-6,8-10,12H2,1H3,(H,21,23).
What are the key properties of N-(1-adamantyl)-2-(5-formyl-2-methoxyphenoxy)acetamide?
N-(1-adamantyl)-2-(5-formyl-2-methoxyphenoxy)acetamide has a molecular weight of 343.42 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-(5-formyl-2-methoxyphenoxy)acetamide is sourced from PubChem (CID 7611574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).