2-[2-chloro-6-methoxy-4-[(E)-2-methyl-3-(methylamino)but-1-enyl]phenoxy]acetamide

C15H21ClN2O3 — CID 103092894

IUPAC2-[2-chloro-6-methoxy-4-[(E)-2-methyl-3-(methylamino)but-1-enyl]phenoxy]acetamide
SMILESCNC(C)/C(C)=C/c1cc(Cl)c(OCC(N)=O)c(OC)c1
InChIInChI=1S/C15H21ClN2O3/c1-9(10(2)18-3)5-11-6-12(16)15(13(7-11)20-4)21-8-14(17)19/h5-7,10,18H,8H2,1-4H3,(H2,17,19)/b9-5+
InChIKeyYWYJQHUQXCXNIN-WEVVVXLNSA-N
MW312.80 g/mol
LogP2.22
Rot. Bonds7

About 2-[2-chloro-6-methoxy-4-[(E)-2-methyl-3-(methylamino)but-1-enyl]phenoxy]acetamide

2-[2-chloro-6-methoxy-4-[(E)-2-methyl-3-(methylamino)but-1-enyl]phenoxy]acetamide (PubChem CID 103092894) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is 2-[2-chloro-6-methoxy-4-[(E)-2-methyl-3-(methylamino)but-1-enyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-chloro-6-methoxy-4-[(E)-2-methyl-3-(methylamino)but-1-enyl]phenoxy]acetamide
PubChem CID103092894
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC Name2-[2-chloro-6-methoxy-4-[(E)-2-methyl-3-(methylamino)but-1-enyl]phenoxy]acetamide
SMILESCNC(C)/C(C)=C/c1cc(Cl)c(OCC(N)=O)c(OC)c1
InChIInChI=1S/C15H21ClN2O3/c1-9(10(2)18-3)5-11-6-12(16)15(13(7-11)20-4)21-8-14(17)19/h5-7,10,18H,8H2,1-4H3,(H2,17,19)/b9-5+
InChIKeyYWYJQHUQXCXNIN-WEVVVXLNSA-N
XLogP2.22
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-chloro-4-(3-hydroxyprop-1-enyl)-6-methoxyphenoxy]acetamide
CID 79334777
(E)-4-(3-chloro-4,5-dimethoxyphenyl)-N-ethyl-3-methylbut-3-en-2-amine
CID 103093259
2-[4-(4-aminobut-1-enyl)-2-chloro-6-methoxyphenoxy]acetamide
CID 76997374
2-[[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methylamino]-N-methylacetamide
CID 43214903
2-[2-chloro-6-methoxy-4-[(2-methoxypropylamino)methyl]phenoxy]acetamide
CID 102696899
2-[2-chloro-6-methoxy-4-[(3-methylbutylamino)methyl]phenoxy]acetamide
CID 28548296
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide
CID 55820158
(Z)-4-(4-methoxy-3-propoxyphenyl)-N,3-dimethylbut-3-en-2-amine
CID 103093109
N-[(E)-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methylideneamino]-4-bromobenzamide
CID 126271574
[2-methoxy-4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl] 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoate
CID 24651976
4-(2-amino-2-oxoethoxy)-N-(1-aminopropan-2-yl)-3-chloro-5-methoxy-N-methylbenzamide
CID 119584039
N-(2-amino-2-methylpropyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzamide;hydrochloride
CID 119629178

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-methoxy-4-[(E)-2-methyl-3-(methylamino)but-1-enyl]phenoxy]acetamide?
The IUPAC name of 2-[2-chloro-6-methoxy-4-[(E)-2-methyl-3-(methylamino)but-1-enyl]phenoxy]acetamide (CID 103092894) is 2-[2-chloro-6-methoxy-4-[(E)-2-methyl-3-(methylamino)but-1-enyl]phenoxy]acetamide.
What is the SMILES notation for 2-[2-chloro-6-methoxy-4-[(E)-2-methyl-3-(methylamino)but-1-enyl]phenoxy]acetamide?
The canonical SMILES for 2-[2-chloro-6-methoxy-4-[(E)-2-methyl-3-(methylamino)but-1-enyl]phenoxy]acetamide is CNC(C)/C(C)=C/c1cc(Cl)c(OCC(N)=O)c(OC)c1.
What is the InChIKey of 2-[2-chloro-6-methoxy-4-[(E)-2-methyl-3-(methylamino)but-1-enyl]phenoxy]acetamide?
The InChIKey is YWYJQHUQXCXNIN-WEVVVXLNSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-9(10(2)18-3)5-11-6-12(16)15(13(7-11)20-4)21-8-14(17)19/h5-7,10,18H,8H2,1-4H3,(H2,17,19)/b9-5+.
What are the key properties of 2-[2-chloro-6-methoxy-4-[(E)-2-methyl-3-(methylamino)but-1-enyl]phenoxy]acetamide?
2-[2-chloro-6-methoxy-4-[(E)-2-methyl-3-(methylamino)but-1-enyl]phenoxy]acetamide has a molecular weight of 312.80 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-6-methoxy-4-[(E)-2-methyl-3-(methylamino)but-1-enyl]phenoxy]acetamide is sourced from PubChem (CID 103092894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).