3-[(Z)-6-amino-6-oxohex-1-enyl]-N-(1-hydroxypropan-2-yl)benzamide

C16H22N2O3 — CID 23730081

IUPAC3-[(Z)-6-amino-6-oxohex-1-enyl]-N-(1-hydroxypropan-2-yl)benzamide
SMILESCC(CO)NC(=O)c1cccc(/C=C\CCCC(N)=O)c1
InChIInChI=1S/C16H22N2O3/c1-12(11-19)18-16(21)14-8-5-7-13(10-14)6-3-2-4-9-15(17)20/h3,5-8,10,12,19H,2,4,9,11H2,1H3,(H2,17,20)(H,18,21)/b6-3-
InChIKeyLOGKINGLTUJZPG-UTCJRWHESA-N
MW290.36 g/mol
LogP1.47
Rot. Bonds8

About 3-[(Z)-6-amino-6-oxohex-1-enyl]-N-(1-hydroxypropan-2-yl)benzamide

3-[(Z)-6-amino-6-oxohex-1-enyl]-N-(1-hydroxypropan-2-yl)benzamide (PubChem CID 23730081) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-[(Z)-6-amino-6-oxohex-1-enyl]-N-(1-hydroxypropan-2-yl)benzamide.

Molecular Properties

Compound Name3-[(Z)-6-amino-6-oxohex-1-enyl]-N-(1-hydroxypropan-2-yl)benzamide
PubChem CID23730081
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name3-[(Z)-6-amino-6-oxohex-1-enyl]-N-(1-hydroxypropan-2-yl)benzamide
SMILESCC(CO)NC(=O)c1cccc(/C=C\CCCC(N)=O)c1
InChIInChI=1S/C16H22N2O3/c1-12(11-19)18-16(21)14-8-5-7-13(10-14)6-3-2-4-9-15(17)20/h3,5-8,10,12,19H,2,4,9,11H2,1H3,(H2,17,20)(H,18,21)/b6-3-
InChIKeyLOGKINGLTUJZPG-UTCJRWHESA-N
XLogP1.47
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-hydroxypropan-2-yl)-3-[6-(methylamino)-6-oxohex-1-enyl]benzamide
CID 67524652
3-[(E)-6-(dimethylamino)-6-oxohex-1-enyl]-N-(1-hydroxypropan-2-yl)benzamide
CID 67524169
3-[6-(dimethylamino)-6-oxohex-1-enyl]-N-(1-propan-2-yloxypropan-2-yl)benzamide
CID 91074518
(3R)-4-[[3-[(Z)-6-(dimethylamino)-6-oxohex-1-enyl]benzoyl]amino]-2,3-dimethylpentanoic acid
CID 163699083
2-[[3-[5-(dimethylsulfamoyl)pent-1-enyl]benzoyl]amino]propanoic acid
CID 154490954
2-[[3-[5-[methyl(propanoyl)amino]pent-1-enyl]benzoyl]amino]propanoic acid
CID 123741242
N-(hydroxymethyl)-3-tridec-1-enylbenzamide
CID 57068829
methyl 2-[[3-[(Z)-6-(dimethylamino)-6-oxohex-1-enyl]benzoyl]amino]-3-phenylpropanoate
CID 138465550
methyl (2S)-2-[[3-[(Z)-6-(dimethylamino)-6-oxohex-1-enyl]benzoyl]amino]-3-phenylpropanoate;sulfane
CID 159055719
4-(3-acetylphenyl)but-3-enamide
CID 170797804
3-[(Z)-6-(dimethylamino)-6-oxohex-1-enyl]-N-(2-oxoethyl)benzamide
CID 145136932
2-[[3-[(Z)-6-(dimethylamino)-6-oxohex-1-enyl]benzoyl]amino]acetic acid
CID 118144306

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-6-amino-6-oxohex-1-enyl]-N-(1-hydroxypropan-2-yl)benzamide?
The IUPAC name of 3-[(Z)-6-amino-6-oxohex-1-enyl]-N-(1-hydroxypropan-2-yl)benzamide (CID 23730081) is 3-[(Z)-6-amino-6-oxohex-1-enyl]-N-(1-hydroxypropan-2-yl)benzamide.
What is the SMILES notation for 3-[(Z)-6-amino-6-oxohex-1-enyl]-N-(1-hydroxypropan-2-yl)benzamide?
The canonical SMILES for 3-[(Z)-6-amino-6-oxohex-1-enyl]-N-(1-hydroxypropan-2-yl)benzamide is CC(CO)NC(=O)c1cccc(/C=C\CCCC(N)=O)c1.
What is the InChIKey of 3-[(Z)-6-amino-6-oxohex-1-enyl]-N-(1-hydroxypropan-2-yl)benzamide?
The InChIKey is LOGKINGLTUJZPG-UTCJRWHESA-N. The full InChI is InChI=1S/C16H22N2O3/c1-12(11-19)18-16(21)14-8-5-7-13(10-14)6-3-2-4-9-15(17)20/h3,5-8,10,12,19H,2,4,9,11H2,1H3,(H2,17,20)(H,18,21)/b6-3-.
What are the key properties of 3-[(Z)-6-amino-6-oxohex-1-enyl]-N-(1-hydroxypropan-2-yl)benzamide?
3-[(Z)-6-amino-6-oxohex-1-enyl]-N-(1-hydroxypropan-2-yl)benzamide has a molecular weight of 290.36 g/mol, XLogP of 1.47, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-6-amino-6-oxohex-1-enyl]-N-(1-hydroxypropan-2-yl)benzamide is sourced from PubChem (CID 23730081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).