(3E)-3-[(2-ethylpentylamino)methylidene]-N-(2-methoxyethyl)-6-methylcyclohexa-1,5-diene-1-carboxamide

C19H32N2O2 — CID 134189019

IUPAC(3E)-3-[(2-ethylpentylamino)methylidene]-N-(2-methoxyethyl)-6-methylcyclohexa-1,5-diene-1-carboxamide
SMILESCCCC(CC)CN/C=C1/C=C(C(=O)NCCOC)C(C)=CC1
InChIInChI=1S/C19H32N2O2/c1-5-7-16(6-2)13-20-14-17-9-8-15(3)18(12-17)19(22)21-10-11-23-4/h8,12,14,16,20H,5-7,9-11,13H2,1-4H3,(H,21,22)/b17-14+
InChIKeyHSSPYYLZKLPEFU-SAPNQHFASA-N
MW320.48 g/mol
LogP3.33
Rot. Bonds10

About (3E)-3-[(2-ethylpentylamino)methylidene]-N-(2-methoxyethyl)-6-methylcyclohexa-1,5-diene-1-carboxamide

(3E)-3-[(2-ethylpentylamino)methylidene]-N-(2-methoxyethyl)-6-methylcyclohexa-1,5-diene-1-carboxamide (PubChem CID 134189019) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is (3E)-3-[(2-ethylpentylamino)methylidene]-N-(2-methoxyethyl)-6-methylcyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound Name(3E)-3-[(2-ethylpentylamino)methylidene]-N-(2-methoxyethyl)-6-methylcyclohexa-1,5-diene-1-carboxamide
PubChem CID134189019
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Name(3E)-3-[(2-ethylpentylamino)methylidene]-N-(2-methoxyethyl)-6-methylcyclohexa-1,5-diene-1-carboxamide
SMILESCCCC(CC)CN/C=C1/C=C(C(=O)NCCOC)C(C)=CC1
InChIInChI=1S/C19H32N2O2/c1-5-7-16(6-2)13-20-14-17-9-8-15(3)18(12-17)19(22)21-10-11-23-4/h8,12,14,16,20H,5-7,9-11,13H2,1-4H3,(H,21,22)/b17-14+
InChIKeyHSSPYYLZKLPEFU-SAPNQHFASA-N
XLogP3.33
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclohex-3-en-1-ylmethyl)-N-[2-(1,1-difluoropropoxy)ethyl]-6-methylisoquinoline-7-carboxamide
CID 123863199
(3E)-2-ethyl-4-methylidene-3-[[methyl(2-methylbutyl)amino]methylidene]-N-[2-(trifluoromethoxy)ethyl]cyclohexa-1,5-diene-1-carboxamide
CID 144747277
(3Z)-N-[2-(1,1-difluoroethoxy)ethyl]-6-methyl-4-methylidene-3-[[methyl(2-methylbutyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide
CID 144747832
(3E)-N-[2-(2-fluoroethoxy)ethyl]-2-methyl-4-methylidene-3-(4-propylheptylidene)cyclohexa-1,5-diene-1-carboxamide
CID 144747355
3-[1-(1-cyclopenten-1-ylcarbonyl)-4-piperidinyl]-N-(2-methoxyethyl)propanamide
CID 25459606
(2E,3Z,6E,8Z)-N-[(Z)-7-amino-4-ethyl-3-methylidenehept-6-enyl]-6-ethenyl-2-ethylidene-3-methyl-5-methylidenedeca-3,6,8-trienamide
CID 89202745
N-(2-methoxyethyl)-3,9-dimethyl-2-(piperidin-4-ylmethyl)-3,4-dihydro-2-benzazepine-8-carboxamide
CID 123257785
2-(2-ethyl-4-iminopentyl)-N-(2-methoxyethyl)-2,6-dimethyl-3H-isoquinolin-2-ium-7-carboxamide
CID 123429397
2-(cyclohex-3-en-1-ylmethyl)-N-(2-methoxybutyl)-6-methylisoquinoline-7-carboxamide
CID 123431252
9-ethyl-N-(2-methoxyethyl)-3-methyl-2-(piperidin-4-ylmethyl)-3,4-dihydro-2-benzazepine-8-carboxamide
CID 123563182
N-[2-(2-methoxyethylamino)ethyl]-7-methyl-3-(2-methylprop-2-enyl)-4-prop-1-en-2-ylocta-4,6-dienamide
CID 123585154
2-(2-ethyl-4-iminopentyl)-N-(2-methoxybutyl)-3,7-dimethyl-3,4-dihydro-2-benzazepine-8-carboxamide
CID 123660733

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(2-ethylpentylamino)methylidene]-N-(2-methoxyethyl)-6-methylcyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of (3E)-3-[(2-ethylpentylamino)methylidene]-N-(2-methoxyethyl)-6-methylcyclohexa-1,5-diene-1-carboxamide (CID 134189019) is (3E)-3-[(2-ethylpentylamino)methylidene]-N-(2-methoxyethyl)-6-methylcyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for (3E)-3-[(2-ethylpentylamino)methylidene]-N-(2-methoxyethyl)-6-methylcyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for (3E)-3-[(2-ethylpentylamino)methylidene]-N-(2-methoxyethyl)-6-methylcyclohexa-1,5-diene-1-carboxamide is CCCC(CC)CN/C=C1/C=C(C(=O)NCCOC)C(C)=CC1.
What is the InChIKey of (3E)-3-[(2-ethylpentylamino)methylidene]-N-(2-methoxyethyl)-6-methylcyclohexa-1,5-diene-1-carboxamide?
The InChIKey is HSSPYYLZKLPEFU-SAPNQHFASA-N. The full InChI is InChI=1S/C19H32N2O2/c1-5-7-16(6-2)13-20-14-17-9-8-15(3)18(12-17)19(22)21-10-11-23-4/h8,12,14,16,20H,5-7,9-11,13H2,1-4H3,(H,21,22)/b17-14+.
What are the key properties of (3E)-3-[(2-ethylpentylamino)methylidene]-N-(2-methoxyethyl)-6-methylcyclohexa-1,5-diene-1-carboxamide?
(3E)-3-[(2-ethylpentylamino)methylidene]-N-(2-methoxyethyl)-6-methylcyclohexa-1,5-diene-1-carboxamide has a molecular weight of 320.48 g/mol, XLogP of 3.33, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(2-ethylpentylamino)methylidene]-N-(2-methoxyethyl)-6-methylcyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 134189019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).