5-[(Z)-6-(dimethylamino)-6-oxohex-1-enyl]-N-(1-hydroxypropan-2-yl)cyclohexa-1,5-diene-1-carboxamide

C18H28N2O3 — CID 145137019

IUPAC5-[(Z)-6-(dimethylamino)-6-oxohex-1-enyl]-N-(1-hydroxypropan-2-yl)cyclohexa-1,5-diene-1-carboxamide
SMILESCC(CO)NC(=O)C1=CCCC(/C=C\CCCC(=O)N(C)C)=C1
InChIInChI=1S/C18H28N2O3/c1-14(13-21)19-18(23)16-10-7-9-15(12-16)8-5-4-6-11-17(22)20(2)3/h5,8,10,12,14,21H,4,6-7,9,11,13H2,1-3H3,(H,19,23)/b8-5-
InChIKeyYXKUTQZQDRCVSF-YVMONPNESA-N
MW320.43 g/mol
LogP1.94
Rot. Bonds8

About 5-[(Z)-6-(dimethylamino)-6-oxohex-1-enyl]-N-(1-hydroxypropan-2-yl)cyclohexa-1,5-diene-1-carboxamide

5-[(Z)-6-(dimethylamino)-6-oxohex-1-enyl]-N-(1-hydroxypropan-2-yl)cyclohexa-1,5-diene-1-carboxamide (PubChem CID 145137019) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 5-[(Z)-6-(dimethylamino)-6-oxohex-1-enyl]-N-(1-hydroxypropan-2-yl)cyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound Name5-[(Z)-6-(dimethylamino)-6-oxohex-1-enyl]-N-(1-hydroxypropan-2-yl)cyclohexa-1,5-diene-1-carboxamide
PubChem CID145137019
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name5-[(Z)-6-(dimethylamino)-6-oxohex-1-enyl]-N-(1-hydroxypropan-2-yl)cyclohexa-1,5-diene-1-carboxamide
SMILESCC(CO)NC(=O)C1=CCCC(/C=C\CCCC(=O)N(C)C)=C1
InChIInChI=1S/C18H28N2O3/c1-14(13-21)19-18(23)16-10-7-9-15(12-16)8-5-4-6-11-17(22)20(2)3/h5,8,10,12,14,21H,4,6-7,9,11,13H2,1-3H3,(H,19,23)/b8-5-
InChIKeyYXKUTQZQDRCVSF-YVMONPNESA-N
XLogP1.94
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 51.94
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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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-6-(dimethylamino)-6-oxohex-1-enyl]-N-(1-hydroxypropan-2-yl)cyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of 5-[(Z)-6-(dimethylamino)-6-oxohex-1-enyl]-N-(1-hydroxypropan-2-yl)cyclohexa-1,5-diene-1-carboxamide (CID 145137019) is 5-[(Z)-6-(dimethylamino)-6-oxohex-1-enyl]-N-(1-hydroxypropan-2-yl)cyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for 5-[(Z)-6-(dimethylamino)-6-oxohex-1-enyl]-N-(1-hydroxypropan-2-yl)cyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for 5-[(Z)-6-(dimethylamino)-6-oxohex-1-enyl]-N-(1-hydroxypropan-2-yl)cyclohexa-1,5-diene-1-carboxamide is CC(CO)NC(=O)C1=CCCC(/C=C\CCCC(=O)N(C)C)=C1.
What is the InChIKey of 5-[(Z)-6-(dimethylamino)-6-oxohex-1-enyl]-N-(1-hydroxypropan-2-yl)cyclohexa-1,5-diene-1-carboxamide?
The InChIKey is YXKUTQZQDRCVSF-YVMONPNESA-N. The full InChI is InChI=1S/C18H28N2O3/c1-14(13-21)19-18(23)16-10-7-9-15(12-16)8-5-4-6-11-17(22)20(2)3/h5,8,10,12,14,21H,4,6-7,9,11,13H2,1-3H3,(H,19,23)/b8-5-.
What are the key properties of 5-[(Z)-6-(dimethylamino)-6-oxohex-1-enyl]-N-(1-hydroxypropan-2-yl)cyclohexa-1,5-diene-1-carboxamide?
5-[(Z)-6-(dimethylamino)-6-oxohex-1-enyl]-N-(1-hydroxypropan-2-yl)cyclohexa-1,5-diene-1-carboxamide has a molecular weight of 320.43 g/mol, XLogP of 1.94, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-6-(dimethylamino)-6-oxohex-1-enyl]-N-(1-hydroxypropan-2-yl)cyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 145137019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).