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

C17H24N2O3 — CID 67524652

IUPACN-(1-hydroxypropan-2-yl)-3-[6-(methylamino)-6-oxohex-1-enyl]benzamide
SMILESCNC(=O)CCCC=Cc1cccc(C(=O)NC(C)CO)c1
InChIInChI=1S/C17H24N2O3/c1-13(12-20)19-17(22)15-9-6-8-14(11-15)7-4-3-5-10-16(21)18-2/h4,6-9,11,13,20H,3,5,10,12H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyGHVBGXRCHRKVPM-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.73
Rot. Bonds8

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

N-(1-hydroxypropan-2-yl)-3-[6-(methylamino)-6-oxohex-1-enyl]benzamide (PubChem CID 67524652) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-3-[6-(methylamino)-6-oxohex-1-enyl]benzamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-3-[6-(methylamino)-6-oxohex-1-enyl]benzamide
PubChem CID67524652
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-(1-hydroxypropan-2-yl)-3-[6-(methylamino)-6-oxohex-1-enyl]benzamide
SMILESCNC(=O)CCCC=Cc1cccc(C(=O)NC(C)CO)c1
InChIInChI=1S/C17H24N2O3/c1-13(12-20)19-17(22)15-9-6-8-14(11-15)7-4-3-5-10-16(21)18-2/h4,6-9,11,13,20H,3,5,10,12H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyGHVBGXRCHRKVPM-UHFFFAOYSA-N
XLogP1.73
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.73
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

3-[(Z)-6-amino-6-oxohex-1-enyl]-N-(1-hydroxypropan-2-yl)benzamide
CID 23730081
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
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
(3R)-4-[[3-[(Z)-6-(dimethylamino)-6-oxohex-1-enyl]benzoyl]amino]-2,3-dimethylpentanoic acid
CID 163699083
N-(hydroxymethyl)-3-tridec-1-enylbenzamide
CID 57068829
N-cyclopropyl-3-[6-(dimethylamino)-6-oxohex-1-ynyl]benzamide;3-[7-(dimethylamino)-7-oxohept-1-ynyl]-N-(1-hydroxypropan-2-yl)benzamide;3-[(Z)-6-(dimethylamino)-6-oxohex-1-enyl]-N-(2-fluoroethyl)benzamide;3-[6-(dimethylamino)-6-oxohex-1-ynyl]benzoic acid;3-[6-(dimethylamino)-6-oxohex-1-ynyl]-N-(2-fluoroethyl)benzamide;3-[6-(dimethylamino)-6-oxohex-1-ynyl]-N-(1-hydroxypropan-2-yl)benzamide;3-[5-(dimethylamino)-5-oxopent-1-ynyl]-N-(1-hydroxypropan-2-yl)benzamide;ethyl 3-[6-(dimethylamino)-6-oxohex-1-ynyl]benzoate;N-(1-hydroxypropan-2-yl)-3-[6-(methylamino)-6-oxohex-1-ynyl]benzamide
CID 161072670
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
N-ethyl-3-[(Z)-6-oxo-6-pyrrolidin-1-ylhex-1-enyl]benzamide
CID 138465508
N-[(2R)-1-hydroxypropan-2-yl]-3-(propan-2-ylamino)benzamide
CID 97329344

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-3-[6-(methylamino)-6-oxohex-1-enyl]benzamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-3-[6-(methylamino)-6-oxohex-1-enyl]benzamide (CID 67524652) is N-(1-hydroxypropan-2-yl)-3-[6-(methylamino)-6-oxohex-1-enyl]benzamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-3-[6-(methylamino)-6-oxohex-1-enyl]benzamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-3-[6-(methylamino)-6-oxohex-1-enyl]benzamide is CNC(=O)CCCC=Cc1cccc(C(=O)NC(C)CO)c1.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-3-[6-(methylamino)-6-oxohex-1-enyl]benzamide?
The InChIKey is GHVBGXRCHRKVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-13(12-20)19-17(22)15-9-6-8-14(11-15)7-4-3-5-10-16(21)18-2/h4,6-9,11,13,20H,3,5,10,12H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N-(1-hydroxypropan-2-yl)-3-[6-(methylamino)-6-oxohex-1-enyl]benzamide?
N-(1-hydroxypropan-2-yl)-3-[6-(methylamino)-6-oxohex-1-enyl]benzamide has a molecular weight of 304.39 g/mol, XLogP of 1.73, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-3-[6-(methylamino)-6-oxohex-1-enyl]benzamide is sourced from PubChem (CID 67524652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).