(Z)-but-2-ene;2-methoxy-N-methylbenzamide

C13H19NO2 — CID 144547446

IUPAC(Z)-but-2-ene;2-methoxy-N-methylbenzamide
SMILESC/C=C\C.CNC(=O)c1ccccc1OC
InChIInChI=1S/C9H11NO2.C4H8/c1-10-9(11)7-5-3-4-6-8(7)12-2;1-3-4-2/h3-6H,1-2H3,(H,10,11);3-4H,1-2H3/b;4-3-
InChIKeyULBKDQBGIFUTJK-QGAMPUOQSA-N
MW221.30 g/mol
LogP2.64
Rot. Bonds2

About (Z)-but-2-ene;2-methoxy-N-methylbenzamide

(Z)-but-2-ene;2-methoxy-N-methylbenzamide (PubChem CID 144547446) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (Z)-but-2-ene;2-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name(Z)-but-2-ene;2-methoxy-N-methylbenzamide
PubChem CID144547446
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(Z)-but-2-ene;2-methoxy-N-methylbenzamide
SMILESC/C=C\C.CNC(=O)c1ccccc1OC
InChIInChI=1S/C9H11NO2.C4H8/c1-10-9(11)7-5-3-4-6-8(7)12-2;1-3-4-2/h3-6H,1-2H3,(H,10,11);3-4H,1-2H3/b;4-3-
InChIKeyULBKDQBGIFUTJK-QGAMPUOQSA-N
XLogP2.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methoxybenzohydrazide
CID 24051
2-methoxy-N-(2-methoxyethoxy)benzamide
CID 79676030
2-(difluoromethoxy)-N-methylbenzamide;ethane
CID 155585824
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
N-(2,2-dichloroethenyl)-2-methoxybenzamide
CID 12837648
ethane;2-ethoxy-N-methylbenzamide
CID 142472808
2-methoxy-N-prop-2-enylbenzamide
CID 4063222
ethane;methyl 2-methoxybenzoate
CID 178037044
2-methoxy-N-[4-[(2-methoxybenzoyl)amino]cyclohexyl]benzamide
CID 1235931
2-[2-(methylcarbamoyl)phenoxy]acetic acid
CID 3026256
2-methoxy-N-[4-[4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 3299583
2-methoxy-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 94867704

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-ene;2-methoxy-N-methylbenzamide?
The IUPAC name of (Z)-but-2-ene;2-methoxy-N-methylbenzamide (CID 144547446) is (Z)-but-2-ene;2-methoxy-N-methylbenzamide.
What is the SMILES notation for (Z)-but-2-ene;2-methoxy-N-methylbenzamide?
The canonical SMILES for (Z)-but-2-ene;2-methoxy-N-methylbenzamide is C/C=C\C.CNC(=O)c1ccccc1OC.
What is the InChIKey of (Z)-but-2-ene;2-methoxy-N-methylbenzamide?
The InChIKey is ULBKDQBGIFUTJK-QGAMPUOQSA-N. The full InChI is InChI=1S/C9H11NO2.C4H8/c1-10-9(11)7-5-3-4-6-8(7)12-2;1-3-4-2/h3-6H,1-2H3,(H,10,11);3-4H,1-2H3/b;4-3-.
What are the key properties of (Z)-but-2-ene;2-methoxy-N-methylbenzamide?
(Z)-but-2-ene;2-methoxy-N-methylbenzamide has a molecular weight of 221.30 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-ene;2-methoxy-N-methylbenzamide is sourced from PubChem (CID 144547446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).