2-(1-adamantylamino)-N-(3-methoxyphenyl)acetamide

C19H26N2O2 — CID 7536728

IUPAC2-(1-adamantylamino)-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CNC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C19H26N2O2/c1-23-17-4-2-3-16(8-17)21-18(22)12-20-19-9-13-5-14(10-19)7-15(6-13)11-19/h2-4,8,13-15,20H,5-7,9-12H2,1H3,(H,21,22)
InChIKeyWJSHNJWDKIXSIA-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.19
Rot. Bonds5

About 2-(1-adamantylamino)-N-(3-methoxyphenyl)acetamide

2-(1-adamantylamino)-N-(3-methoxyphenyl)acetamide (PubChem CID 7536728) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-(1-adamantylamino)-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(1-adamantylamino)-N-(3-methoxyphenyl)acetamide
PubChem CID7536728
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name2-(1-adamantylamino)-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CNC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C19H26N2O2/c1-23-17-4-2-3-16(8-17)21-18(22)12-20-19-9-13-5-14(10-19)7-15(6-13)11-19/h2-4,8,13-15,20H,5-7,9-12H2,1H3,(H,21,22)
InChIKeyWJSHNJWDKIXSIA-UHFFFAOYSA-N
XLogP3.19
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(hydroxyamino)-N-(3-methoxyphenyl)acetamide
CID 12611733
2-[(3-hydroxy-1-adamantyl)amino]-N-(3-methylphenyl)acetamide
CID 154930175
2-(1-adamantylamino)-N-(4-tert-butylphenyl)acetamide
CID 7666269
2-(1-adamantylamino)-N-(2,3-dimethylphenyl)acetamide
CID 7536722
[2-(3-methoxyanilino)-2-oxoethyl] (5S,7R)-3-hydroxyadamantane-1-carboxylate
CID 7470795
2-(1-adamantylamino)-N-(2,6-dichlorophenyl)acetamide
CID 7536783
N-ethyl-2-[[2-(3-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 43401692
2-(3-ethylpentan-3-ylamino)-N-(3-methoxyphenyl)acetamide
CID 65038567
cobalt(2+);bis(2-(3-methoxyanilino)-2-oxoethanethiolate)
CID 6100941
N-[1-(1-adamantyl)ethyl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide
CID 5234660
(2R)-2-N-(1-adamantyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 7406171
N-(3-methoxyphenyl)-2-[[(1R,2S)-2-methylcyclohexyl]amino]acetamide
CID 1133388

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantylamino)-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-(1-adamantylamino)-N-(3-methoxyphenyl)acetamide (CID 7536728) is 2-(1-adamantylamino)-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(1-adamantylamino)-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-(1-adamantylamino)-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)CNC23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of 2-(1-adamantylamino)-N-(3-methoxyphenyl)acetamide?
The InChIKey is WJSHNJWDKIXSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-23-17-4-2-3-16(8-17)21-18(22)12-20-19-9-13-5-14(10-19)7-15(6-13)11-19/h2-4,8,13-15,20H,5-7,9-12H2,1H3,(H,21,22).
What are the key properties of 2-(1-adamantylamino)-N-(3-methoxyphenyl)acetamide?
2-(1-adamantylamino)-N-(3-methoxyphenyl)acetamide has a molecular weight of 314.43 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantylamino)-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 7536728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).