N-ethyl-3-[(Z)-6-oxo-6-pyrrolidin-1-ylhex-1-enyl]benzamide

C19H26N2O2 — CID 138465508

IUPACN-ethyl-3-[(Z)-6-oxo-6-pyrrolidin-1-ylhex-1-enyl]benzamide
SMILESCCNC(=O)c1cccc(/C=C\CCCC(=O)N2CCCC2)c1
InChIInChI=1S/C19H26N2O2/c1-2-20-19(23)17-11-8-10-16(15-17)9-4-3-5-12-18(22)21-13-6-7-14-21/h4,8-11,15H,2-3,5-7,12-14H2,1H3,(H,20,23)/b9-4-
InChIKeyULCHXKDNNRIEDC-WTKPLQERSA-N
MW314.43 g/mol
LogP3.24
Rot. Bonds7

About N-ethyl-3-[(Z)-6-oxo-6-pyrrolidin-1-ylhex-1-enyl]benzamide

N-ethyl-3-[(Z)-6-oxo-6-pyrrolidin-1-ylhex-1-enyl]benzamide (PubChem CID 138465508) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is N-ethyl-3-[(Z)-6-oxo-6-pyrrolidin-1-ylhex-1-enyl]benzamide.

Molecular Properties

Compound NameN-ethyl-3-[(Z)-6-oxo-6-pyrrolidin-1-ylhex-1-enyl]benzamide
PubChem CID138465508
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC NameN-ethyl-3-[(Z)-6-oxo-6-pyrrolidin-1-ylhex-1-enyl]benzamide
SMILESCCNC(=O)c1cccc(/C=C\CCCC(=O)N2CCCC2)c1
InChIInChI=1S/C19H26N2O2/c1-2-20-19(23)17-11-8-10-16(15-17)9-4-3-5-12-18(22)21-13-6-7-14-21/h4,8-11,15H,2-3,5-7,12-14H2,1H3,(H,20,23)/b9-4-
InChIKeyULCHXKDNNRIEDC-WTKPLQERSA-N
XLogP3.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(hydroxymethyl)-3-tridec-1-enylbenzamide
CID 57068829
2-[[3-[(Z)-6-(dimethylamino)-6-oxohex-1-enyl]benzoyl]amino]acetic acid
CID 118144306
3-[(Z)-6-(dimethylamino)-6-oxohex-1-enyl]-N-(2-oxoethyl)benzamide
CID 145136932
1-[3-[(E)-hex-1-enyl]phenyl]ethanone
CID 10512317
N,N-dimethylformamide;2-[[3-[(Z)-hex-1-enyl]benzoyl]amino]acetic acid
CID 144855446
3-[(E)-dec-1-enyl]benzoic acid
CID 14233876
2-[[3-[(Z)-5-[acetyl(methyl)amino]pent-1-enyl]benzoyl]amino]acetic acid
CID 138465537
3-[(Z)-6-amino-6-oxohex-1-enyl]-N-(1-hydroxypropan-2-yl)benzamide
CID 23730081
(Z)-6-(3-acetylphenyl)-N,N-dimethylhex-5-enamide
CID 138465388
methyl 3-[(E)-hept-1-enyl]benzoate
CID 11148980
N-ethyl-3-hydroxybenzamide
CID 13175248
3-[(E)-6-(dimethylamino)-6-oxohex-1-enyl]-N-(1-hydroxypropan-2-yl)benzamide
CID 67524169

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(Z)-6-oxo-6-pyrrolidin-1-ylhex-1-enyl]benzamide?
The IUPAC name of N-ethyl-3-[(Z)-6-oxo-6-pyrrolidin-1-ylhex-1-enyl]benzamide (CID 138465508) is N-ethyl-3-[(Z)-6-oxo-6-pyrrolidin-1-ylhex-1-enyl]benzamide.
What is the SMILES notation for N-ethyl-3-[(Z)-6-oxo-6-pyrrolidin-1-ylhex-1-enyl]benzamide?
The canonical SMILES for N-ethyl-3-[(Z)-6-oxo-6-pyrrolidin-1-ylhex-1-enyl]benzamide is CCNC(=O)c1cccc(/C=C\CCCC(=O)N2CCCC2)c1.
What is the InChIKey of N-ethyl-3-[(Z)-6-oxo-6-pyrrolidin-1-ylhex-1-enyl]benzamide?
The InChIKey is ULCHXKDNNRIEDC-WTKPLQERSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-2-20-19(23)17-11-8-10-16(15-17)9-4-3-5-12-18(22)21-13-6-7-14-21/h4,8-11,15H,2-3,5-7,12-14H2,1H3,(H,20,23)/b9-4-.
What are the key properties of N-ethyl-3-[(Z)-6-oxo-6-pyrrolidin-1-ylhex-1-enyl]benzamide?
N-ethyl-3-[(Z)-6-oxo-6-pyrrolidin-1-ylhex-1-enyl]benzamide has a molecular weight of 314.43 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(Z)-6-oxo-6-pyrrolidin-1-ylhex-1-enyl]benzamide is sourced from PubChem (CID 138465508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).