(Z)-6-(3-acetylphenyl)-N,N-dimethylhex-5-enamide

C16H21NO2 — CID 138465388

IUPAC(Z)-6-(3-acetylphenyl)-N,N-dimethylhex-5-enamide
SMILESCC(=O)c1cccc(/C=C\CCCC(=O)N(C)C)c1
InChIInChI=1S/C16H21NO2/c1-13(18)15-10-7-9-14(12-15)8-5-4-6-11-16(19)17(2)3/h5,7-10,12H,4,6,11H2,1-3H3/b8-5-
InChIKeyQROUDAISAPXHAD-YVMONPNESA-N
MW259.35 g/mol
LogP3.16
Rot. Bonds6

About (Z)-6-(3-acetylphenyl)-N,N-dimethylhex-5-enamide

(Z)-6-(3-acetylphenyl)-N,N-dimethylhex-5-enamide (PubChem CID 138465388) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is (Z)-6-(3-acetylphenyl)-N,N-dimethylhex-5-enamide.

Molecular Properties

Compound Name(Z)-6-(3-acetylphenyl)-N,N-dimethylhex-5-enamide
PubChem CID138465388
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name(Z)-6-(3-acetylphenyl)-N,N-dimethylhex-5-enamide
SMILESCC(=O)c1cccc(/C=C\CCCC(=O)N(C)C)c1
InChIInChI=1S/C16H21NO2/c1-13(18)15-10-7-9-14(12-15)8-5-4-6-11-16(19)17(2)3/h5,7-10,12H,4,6,11H2,1-3H3/b8-5-
InChIKeyQROUDAISAPXHAD-YVMONPNESA-N
XLogP3.16
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-6-(3-formylphenyl)-N,N-dimethylhex-5-enamide
CID 138465597
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
(2R)-5-[3-[(Z)-6-(dimethylamino)-6-oxohex-1-enyl]phenyl]-2-methyl-5-oxopentanoic acid
CID 138465428
3-[(E)-6-(dimethylamino)-6-oxohex-1-enyl]-N-(1-hydroxypropan-2-yl)benzamide
CID 67524169
1-[3-[(E)-hex-1-enyl]phenyl]ethanone
CID 10512317
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-[(Z)-6-(dimethylamino)-6-oxohex-1-enyl]benzoyl]imino-3-phenylpropanoic acid
CID 134469981
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

Frequently Asked Questions

What is the IUPAC name of (Z)-6-(3-acetylphenyl)-N,N-dimethylhex-5-enamide?
The IUPAC name of (Z)-6-(3-acetylphenyl)-N,N-dimethylhex-5-enamide (CID 138465388) is (Z)-6-(3-acetylphenyl)-N,N-dimethylhex-5-enamide.
What is the SMILES notation for (Z)-6-(3-acetylphenyl)-N,N-dimethylhex-5-enamide?
The canonical SMILES for (Z)-6-(3-acetylphenyl)-N,N-dimethylhex-5-enamide is CC(=O)c1cccc(/C=C\CCCC(=O)N(C)C)c1.
What is the InChIKey of (Z)-6-(3-acetylphenyl)-N,N-dimethylhex-5-enamide?
The InChIKey is QROUDAISAPXHAD-YVMONPNESA-N. The full InChI is InChI=1S/C16H21NO2/c1-13(18)15-10-7-9-14(12-15)8-5-4-6-11-16(19)17(2)3/h5,7-10,12H,4,6,11H2,1-3H3/b8-5-.
What are the key properties of (Z)-6-(3-acetylphenyl)-N,N-dimethylhex-5-enamide?
(Z)-6-(3-acetylphenyl)-N,N-dimethylhex-5-enamide has a molecular weight of 259.35 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-(3-acetylphenyl)-N,N-dimethylhex-5-enamide is sourced from PubChem (CID 138465388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).