N-[2-(2-methoxyphenoxy)ethyl]cyclohex-3-ene-1-carboxamide

C16H21NO3 — CID 43009468

IUPACN-[2-(2-methoxyphenoxy)ethyl]cyclohex-3-ene-1-carboxamide
SMILESCOc1ccccc1OCCNC(=O)C1CC=CCC1
InChIInChI=1S/C16H21NO3/c1-19-14-9-5-6-10-15(14)20-12-11-17-16(18)13-7-3-2-4-8-13/h2-3,5-6,9-10,13H,4,7-8,11-12H2,1H3,(H,17,18)
InChIKeyYZLMSJWASCCZIA-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.55
Rot. Bonds6

About N-[2-(2-methoxyphenoxy)ethyl]cyclohex-3-ene-1-carboxamide

N-[2-(2-methoxyphenoxy)ethyl]cyclohex-3-ene-1-carboxamide (PubChem CID 43009468) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[2-(2-methoxyphenoxy)ethyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenoxy)ethyl]cyclohex-3-ene-1-carboxamide
PubChem CID43009468
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC NameN-[2-(2-methoxyphenoxy)ethyl]cyclohex-3-ene-1-carboxamide
SMILESCOc1ccccc1OCCNC(=O)C1CC=CCC1
InChIInChI=1S/C16H21NO3/c1-19-14-9-5-6-10-15(14)20-12-11-17-16(18)13-7-3-2-4-8-13/h2-3,5-6,9-10,13H,4,7-8,11-12H2,1H3,(H,17,18)
InChIKeyYZLMSJWASCCZIA-UHFFFAOYSA-N
XLogP2.55
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclohex-3-en-1-ylmethyl)-2-(2-methoxyphenoxy)ethanamine
CID 60663419
N-[2-(2-fluorophenoxy)ethyl]cyclopent-3-ene-1-carboxamide
CID 131923892
(1S)-N-[2-(2,5-dimethoxyphenyl)ethyl]cyclohex-3-ene-1-carboxamide
CID 94484941
1-cyclopropyl-3-[2-(2-methoxyphenoxy)ethyl]urea
CID 47127459
(2S)-2-[[[(1R)-cyclohex-3-ene-1-carbonyl]amino]methyl]-3-(2-methoxyphenyl)propanoic acid
CID 124686598
N-[2-(2-methoxy-4-methylphenoxy)ethyl]cyclopropanecarboxamide
CID 113101778
(1S)-N-[2-(3,5-dimethoxyanilino)ethyl]cyclohex-3-ene-1-carboxamide
CID 97240363
N-[2-(2-methylphenoxy)ethyl]cyclobutanecarboxamide
CID 113099100
N-[2-(2-methoxyphenoxy)ethyl]-2-methylpropanamide
CID 113099759
(1S)-N-[(3,4,5-trimethoxyphenyl)methyl]cyclohex-3-ene-1-carboxamide
CID 25396191
1-cyclopropyl-2-(2-methoxyphenoxy)ethanone
CID 63914033
N-(3-hydroxy-4-methoxybutyl)cyclohex-3-ene-1-carboxamide
CID 103876947

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenoxy)ethyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-[2-(2-methoxyphenoxy)ethyl]cyclohex-3-ene-1-carboxamide (CID 43009468) is N-[2-(2-methoxyphenoxy)ethyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyphenoxy)ethyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-[2-(2-methoxyphenoxy)ethyl]cyclohex-3-ene-1-carboxamide is COc1ccccc1OCCNC(=O)C1CC=CCC1.
What is the InChIKey of N-[2-(2-methoxyphenoxy)ethyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is YZLMSJWASCCZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-19-14-9-5-6-10-15(14)20-12-11-17-16(18)13-7-3-2-4-8-13/h2-3,5-6,9-10,13H,4,7-8,11-12H2,1H3,(H,17,18).
What are the key properties of N-[2-(2-methoxyphenoxy)ethyl]cyclohex-3-ene-1-carboxamide?
N-[2-(2-methoxyphenoxy)ethyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenoxy)ethyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 43009468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).