N-[2-(3-methoxyphenoxy)ethyl]adamantane-2-carboxamide

C20H27NO3 — CID 46399859

IUPACN-[2-(3-methoxyphenoxy)ethyl]adamantane-2-carboxamide
SMILESCOc1cccc(OCCNC(=O)C2C3CC4CC(C3)CC2C4)c1
InChIInChI=1S/C20H27NO3/c1-23-17-3-2-4-18(12-17)24-6-5-21-20(22)19-15-8-13-7-14(10-15)11-16(19)9-13/h2-4,12-16,19H,5-11H2,1H3,(H,21,22)
InChIKeyOCBJJNZGDHEQLE-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.26
Rot. Bonds6

About N-[2-(3-methoxyphenoxy)ethyl]adamantane-2-carboxamide

N-[2-(3-methoxyphenoxy)ethyl]adamantane-2-carboxamide (PubChem CID 46399859) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-[2-(3-methoxyphenoxy)ethyl]adamantane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenoxy)ethyl]adamantane-2-carboxamide
PubChem CID46399859
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC NameN-[2-(3-methoxyphenoxy)ethyl]adamantane-2-carboxamide
SMILESCOc1cccc(OCCNC(=O)C2C3CC4CC(C3)CC2C4)c1
InChIInChI=1S/C20H27NO3/c1-23-17-3-2-4-18(12-17)24-6-5-21-20(22)19-15-8-13-7-14(10-15)11-16(19)9-13/h2-4,12-16,19H,5-11H2,1H3,(H,21,22)
InChIKeyOCBJJNZGDHEQLE-UHFFFAOYSA-N
XLogP3.26
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

trans-(1R,2R)-2-[2-(3-methoxyphenoxy)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125150665
(3S)-N-[2-(3-methoxyphenoxy)ethyl]pyrrolidine-3-carboxamide
CID 124687672
2-ethyl-N-[2-(3-methoxyphenoxy)ethyl]butanamide
CID 113099794
N-[2-(3-methoxyphenoxy)ethyl]-3-phenoxypropanamide
CID 113099798
N-[2-(3-methoxyphenoxy)ethyl]-3-methylbutanamide
CID 113099793
N-[2-(3-methoxyphenoxy)ethyl]-2-(4-methoxyphenyl)acetamide
CID 46399940
3-acetamido-N-[2-(3-methoxyphenoxy)ethyl]adamantane-1-carboxamide
CID 16765908
N-[2-[[ethylamino-[2-(3-methoxyphenoxy)ethylamino]methylidene]amino]ethyl]cyclopropanecarboxamide
CID 111927466
1-(2-adamantyl)-3-[2-(3-fluorophenoxy)ethyl]urea
CID 112832180
N-[2-(3-methoxyphenoxy)ethyl]-3,4-dimethylbenzamide
CID 94051659
1-[2-(3-methoxyphenoxy)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 38885483
1-benzyl-3-[2-(3-methoxyphenoxy)ethyl]urea
CID 38885485

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenoxy)ethyl]adamantane-2-carboxamide?
The IUPAC name of N-[2-(3-methoxyphenoxy)ethyl]adamantane-2-carboxamide (CID 46399859) is N-[2-(3-methoxyphenoxy)ethyl]adamantane-2-carboxamide.
What is the SMILES notation for N-[2-(3-methoxyphenoxy)ethyl]adamantane-2-carboxamide?
The canonical SMILES for N-[2-(3-methoxyphenoxy)ethyl]adamantane-2-carboxamide is COc1cccc(OCCNC(=O)C2C3CC4CC(C3)CC2C4)c1.
What is the InChIKey of N-[2-(3-methoxyphenoxy)ethyl]adamantane-2-carboxamide?
The InChIKey is OCBJJNZGDHEQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3/c1-23-17-3-2-4-18(12-17)24-6-5-21-20(22)19-15-8-13-7-14(10-15)11-16(19)9-13/h2-4,12-16,19H,5-11H2,1H3,(H,21,22).
What are the key properties of N-[2-(3-methoxyphenoxy)ethyl]adamantane-2-carboxamide?
N-[2-(3-methoxyphenoxy)ethyl]adamantane-2-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenoxy)ethyl]adamantane-2-carboxamide is sourced from PubChem (CID 46399859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).