N-(2-methoxyethyl)cyclohexa-1,5-diene-1-carboxamide;molecular hydrogen

C10H17NO2 — CID 177165872

IUPACN-(2-methoxyethyl)cyclohexa-1,5-diene-1-carboxamide;molecular hydrogen
SMILESCOCCNC(=O)C1=CCCC=C1.[H][H]
InChIInChI=1S/C10H15NO2.H2/c1-13-8-7-11-10(12)9-5-3-2-4-6-9;/h3,5-6H,2,4,7-8H2,1H3,(H,11,12);1H
InChIKeyGMOHTOHXMQKYEH-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.27
Rot. Bonds4

About N-(2-methoxyethyl)cyclohexa-1,5-diene-1-carboxamide;molecular hydrogen

N-(2-methoxyethyl)cyclohexa-1,5-diene-1-carboxamide;molecular hydrogen (PubChem CID 177165872) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is N-(2-methoxyethyl)cyclohexa-1,5-diene-1-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-(2-methoxyethyl)cyclohexa-1,5-diene-1-carboxamide;molecular hydrogen
PubChem CID177165872
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC NameN-(2-methoxyethyl)cyclohexa-1,5-diene-1-carboxamide;molecular hydrogen
SMILESCOCCNC(=O)C1=CCCC=C1.[H][H]
InChIInChI=1S/C10H15NO2.H2/c1-13-8-7-11-10(12)9-5-3-2-4-6-9;/h3,5-6H,2,4,7-8H2,1H3,(H,11,12);1H
InChIKeyGMOHTOHXMQKYEH-UHFFFAOYSA-N
XLogP1.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-ethyl-N-(2-methoxyethyl)-2-oxo-N-propyl-1,2-dihydropyridine-4-carboxamide
CID 74249288
Rehmagluamide
CID 171121049
(3Z,5E)-5-fluoro-N-(2-hydroxyethyl)-2-methylideneocta-3,5-dienamide
CID 167046842
N-[(1R)-1-cyclohexa-1,5-dien-1-ylethyl]-2-methoxyacetamide
CID 134817736
(2E,4E)-N-(2-methylpropyl)-8-oxoocta-2,4-dienamide
CID 92033429
(3Z)-3-butylidene-N-[2-(1,1-difluoroethoxy)ethyl]-6-methyl-4-methylidenecyclohexa-1,5-diene-1-carboxamide
CID 144747373
(3E)-3-ethylidene-2-methyl-4-methylidene-N-[2-(trifluoromethoxy)ethyl]cyclohexa-1,5-diene-1-carboxamide
CID 144747665
methyl 2-[[(2E,4E)-4-ethylhexa-2,4-dienoyl]amino]acetate
CID 14329793
N-propyl-3-acetamido-1,5-cyclohexadienecarboxamide
CID 20375725
(E)-N-(2-methoxyethyl)-4,4-dimethylpent-2-enamide
CID 21060447
N-propylcyclohexa-1,5-diene-1-carboxamide
CID 22607943
N-butylcyclohexa-1,5-diene-1-carboxamide
CID 22887410

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)cyclohexa-1,5-diene-1-carboxamide;molecular hydrogen?
The IUPAC name of N-(2-methoxyethyl)cyclohexa-1,5-diene-1-carboxamide;molecular hydrogen (CID 177165872) is N-(2-methoxyethyl)cyclohexa-1,5-diene-1-carboxamide;molecular hydrogen.
What is the SMILES notation for N-(2-methoxyethyl)cyclohexa-1,5-diene-1-carboxamide;molecular hydrogen?
The canonical SMILES for N-(2-methoxyethyl)cyclohexa-1,5-diene-1-carboxamide;molecular hydrogen is COCCNC(=O)C1=CCCC=C1.[H][H].
What is the InChIKey of N-(2-methoxyethyl)cyclohexa-1,5-diene-1-carboxamide;molecular hydrogen?
The InChIKey is GMOHTOHXMQKYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2.H2/c1-13-8-7-11-10(12)9-5-3-2-4-6-9;/h3,5-6H,2,4,7-8H2,1H3,(H,11,12);1H.
What are the key properties of N-(2-methoxyethyl)cyclohexa-1,5-diene-1-carboxamide;molecular hydrogen?
N-(2-methoxyethyl)cyclohexa-1,5-diene-1-carboxamide;molecular hydrogen has a molecular weight of 183.25 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)cyclohexa-1,5-diene-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 177165872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).