4-amino-N-[(3E,5E)-6-methoxy-3-methylocta-3,5-dienyl]benzamide;ethane

C19H30N2O2 — CID 142272376

IUPAC4-amino-N-[(3E,5E)-6-methoxy-3-methylocta-3,5-dienyl]benzamide;ethane
SMILESCC.CC/C(=C\C=C(/C)CCNC(=O)c1ccc(N)cc1)OC
InChIInChI=1S/C17H24N2O2.C2H6/c1-4-16(21-3)10-5-13(2)11-12-19-17(20)14-6-8-15(18)9-7-14;1-2/h5-10H,4,11-12,18H2,1-3H3,(H,19,20);1-2H3/b13-5+,16-10+;
InChIKeyLHKDBJQPOIMSPR-WTCUAGPYSA-N
MW318.46 g/mol
LogP4.30
Rot. Bonds7

About 4-amino-N-[(3E,5E)-6-methoxy-3-methylocta-3,5-dienyl]benzamide;ethane

4-amino-N-[(3E,5E)-6-methoxy-3-methylocta-3,5-dienyl]benzamide;ethane (PubChem CID 142272376) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 4-amino-N-[(3E,5E)-6-methoxy-3-methylocta-3,5-dienyl]benzamide;ethane.

Molecular Properties

Compound Name4-amino-N-[(3E,5E)-6-methoxy-3-methylocta-3,5-dienyl]benzamide;ethane
PubChem CID142272376
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name4-amino-N-[(3E,5E)-6-methoxy-3-methylocta-3,5-dienyl]benzamide;ethane
SMILESCC.CC/C(=C\C=C(/C)CCNC(=O)c1ccc(N)cc1)OC
InChIInChI=1S/C17H24N2O2.C2H6/c1-4-16(21-3)10-5-13(2)11-12-19-17(20)14-6-8-15(18)9-7-14;1-2/h5-10H,4,11-12,18H2,1-3H3,(H,19,20);1-2H3/b13-5+,16-10+;
InChIKeyLHKDBJQPOIMSPR-WTCUAGPYSA-N
XLogP4.30
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

4-(4-aminophenyl)-N-(2-methoxyethyl)benzamide
CID 91665664
4-amino-N-(2-hydroxyethyl)benzamide;ethane;molecular hydrogen
CID 156799285
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CID 119731255
4-amino-N-[2-[2-[2-[2-(3-oxobutylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide
CID 156883008
4-amino-N-[2-(diethylamino)ethyl]benzamide;copper;hydrochloride
CID 70426685
2-[(4-aminobenzoyl)amino]ethyl 2-methylprop-2-enoate
CID 118056637
4-amino-N-(2-butoxyethyl)benzamide
CID 61171616
4-amino-N-[2-[[2-[2-[2-(propanoylamino)ethoxy]ethoxy]acetyl]amino]ethyl]benzamide
CID 90278399
N-[2-(4-aminophenyl)ethyl]-4-propylbenzamide
CID 119549241
4-amino-N-[[(4-aminobenzoyl)amino]methyl]benzamide
CID 22949694
4-amino-N-[2-(4-aminophenyl)ethyl]benzamide
CID 110483115
2-[(4-aminobenzoyl)amino]-N,N-diethylethanamine oxide
CID 11402489

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(3E,5E)-6-methoxy-3-methylocta-3,5-dienyl]benzamide;ethane?
The IUPAC name of 4-amino-N-[(3E,5E)-6-methoxy-3-methylocta-3,5-dienyl]benzamide;ethane (CID 142272376) is 4-amino-N-[(3E,5E)-6-methoxy-3-methylocta-3,5-dienyl]benzamide;ethane.
What is the SMILES notation for 4-amino-N-[(3E,5E)-6-methoxy-3-methylocta-3,5-dienyl]benzamide;ethane?
The canonical SMILES for 4-amino-N-[(3E,5E)-6-methoxy-3-methylocta-3,5-dienyl]benzamide;ethane is CC.CC/C(=C\C=C(/C)CCNC(=O)c1ccc(N)cc1)OC.
What is the InChIKey of 4-amino-N-[(3E,5E)-6-methoxy-3-methylocta-3,5-dienyl]benzamide;ethane?
The InChIKey is LHKDBJQPOIMSPR-WTCUAGPYSA-N. The full InChI is InChI=1S/C17H24N2O2.C2H6/c1-4-16(21-3)10-5-13(2)11-12-19-17(20)14-6-8-15(18)9-7-14;1-2/h5-10H,4,11-12,18H2,1-3H3,(H,19,20);1-2H3/b13-5+,16-10+;.
What are the key properties of 4-amino-N-[(3E,5E)-6-methoxy-3-methylocta-3,5-dienyl]benzamide;ethane?
4-amino-N-[(3E,5E)-6-methoxy-3-methylocta-3,5-dienyl]benzamide;ethane has a molecular weight of 318.46 g/mol, XLogP of 4.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(3E,5E)-6-methoxy-3-methylocta-3,5-dienyl]benzamide;ethane is sourced from PubChem (CID 142272376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).