2-[2-[(Z)-but-2-en-2-yl]phenoxy]-N,N-dimethylpropanamide

C15H21NO2 — CID 173339898

IUPAC2-[2-[(Z)-but-2-en-2-yl]phenoxy]-N,N-dimethylpropanamide
SMILESC/C=C(/C)c1ccccc1OC(C)C(=O)N(C)C
InChIInChI=1S/C15H21NO2/c1-6-11(2)13-9-7-8-10-14(13)18-12(3)15(17)16(4)5/h6-10,12H,1-5H3/b11-6-
InChIKeyMTTGVKHIHDFIRB-WDZFZDKYSA-N
MW247.34 g/mol
LogP2.97
Rot. Bonds4

About 2-[2-[(Z)-but-2-en-2-yl]phenoxy]-N,N-dimethylpropanamide

2-[2-[(Z)-but-2-en-2-yl]phenoxy]-N,N-dimethylpropanamide (PubChem CID 173339898) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[2-[(Z)-but-2-en-2-yl]phenoxy]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[2-[(Z)-but-2-en-2-yl]phenoxy]-N,N-dimethylpropanamide
PubChem CID173339898
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-[2-[(Z)-but-2-en-2-yl]phenoxy]-N,N-dimethylpropanamide
SMILESC/C=C(/C)c1ccccc1OC(C)C(=O)N(C)C
InChIInChI=1S/C15H21NO2/c1-6-11(2)13-9-7-8-10-14(13)18-12(3)15(17)16(4)5/h6-10,12H,1-5H3/b11-6-
InChIKeyMTTGVKHIHDFIRB-WDZFZDKYSA-N
XLogP2.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N,N-dimethyl-2-(2-propan-2-ylphenoxy)propanamide
CID 94011896
2-(3-hydroxy-2-methylphenoxy)-N,N-dimethylpropanamide
CID 43143214
2-(2-acetyl-5-fluorophenoxy)-N,N-dimethylpropanamide
CID 55148420
3-(2-acetylphenoxy)butan-2-one
CID 82312052
2-[1-(dimethylamino)-1-oxopropan-2-yl]oxy-3-methoxybenzoic acid
CID 43471727
2-(2-carbamothioyl-3-fluorophenoxy)-N,N-dimethylpropanamide
CID 43609423
2-[1-(dimethylamino)-1-oxopropan-2-yl]oxy-5-iodobenzoic acid
CID 82995938
2-(2-acetyl-4-nitrophenoxy)-N,N-dimethylpropanamide
CID 116541587
methyl 5-amino-2-[1-(dimethylamino)-1-oxopropan-2-yl]oxybenzoate
CID 106955681
(2S)-2-[2-ethoxy-4-[(E)-3-(2-methylphenyl)-3-oxoprop-1-enyl]phenoxy]-N,N-dimethylpropanamide
CID 9448352
4-chloro-2-[1-(dimethylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 61379027
1-[(Z)-but-2-en-2-yl]-2-ethenoxybenzene
CID 143337397

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(Z)-but-2-en-2-yl]phenoxy]-N,N-dimethylpropanamide?
The IUPAC name of 2-[2-[(Z)-but-2-en-2-yl]phenoxy]-N,N-dimethylpropanamide (CID 173339898) is 2-[2-[(Z)-but-2-en-2-yl]phenoxy]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[2-[(Z)-but-2-en-2-yl]phenoxy]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[2-[(Z)-but-2-en-2-yl]phenoxy]-N,N-dimethylpropanamide is C/C=C(/C)c1ccccc1OC(C)C(=O)N(C)C.
What is the InChIKey of 2-[2-[(Z)-but-2-en-2-yl]phenoxy]-N,N-dimethylpropanamide?
The InChIKey is MTTGVKHIHDFIRB-WDZFZDKYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-6-11(2)13-9-7-8-10-14(13)18-12(3)15(17)16(4)5/h6-10,12H,1-5H3/b11-6-.
What are the key properties of 2-[2-[(Z)-but-2-en-2-yl]phenoxy]-N,N-dimethylpropanamide?
2-[2-[(Z)-but-2-en-2-yl]phenoxy]-N,N-dimethylpropanamide has a molecular weight of 247.34 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(Z)-but-2-en-2-yl]phenoxy]-N,N-dimethylpropanamide is sourced from PubChem (CID 173339898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).