2-[[(E)-3-chloroprop-2-enyl]-ethylamino]-N-(3-methoxyphenyl)acetamide

C14H19ClN2O2 — CID 78831827

IUPAC2-[[(E)-3-chloroprop-2-enyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
SMILESCCN(C/C=C/Cl)CC(=O)Nc1cccc(OC)c1
InChIInChI=1S/C14H19ClN2O2/c1-3-17(9-5-8-15)11-14(18)16-12-6-4-7-13(10-12)19-2/h4-8,10H,3,9,11H2,1-2H3,(H,16,18)/b8-5+
InChIKeyHODQAHXSAJLVRL-VMPITWQZSA-N
MW282.77 g/mol
LogP2.71
Rot. Bonds7

About 2-[[(E)-3-chloroprop-2-enyl]-ethylamino]-N-(3-methoxyphenyl)acetamide

2-[[(E)-3-chloroprop-2-enyl]-ethylamino]-N-(3-methoxyphenyl)acetamide (PubChem CID 78831827) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-[[(E)-3-chloroprop-2-enyl]-ethylamino]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[(E)-3-chloroprop-2-enyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
PubChem CID78831827
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name2-[[(E)-3-chloroprop-2-enyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
SMILESCCN(C/C=C/Cl)CC(=O)Nc1cccc(OC)c1
InChIInChI=1S/C14H19ClN2O2/c1-3-17(9-5-8-15)11-14(18)16-12-6-4-7-13(10-12)19-2/h4-8,10H,3,9,11H2,1-2H3,(H,16,18)/b8-5+
InChIKeyHODQAHXSAJLVRL-VMPITWQZSA-N
XLogP2.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetate
CID 60674332
2-[[2-(3-bromoanilino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
CID 9026006
ethyl 2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetate
CID 60674331
3-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]-2-methylpropanoic acid
CID 62851901
N-cyclopropyl-2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 34434295
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]propanamide
CID 43011197
2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
CID 9025809
4-[[2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]-N,N-dimethylbenzamide
CID 9025684
2-[ethyl-[2-(N-methylanilino)-2-oxoethyl]amino]-N-(3-methoxyphenyl)acetamide
CID 34434223
2-[ethyl(piperidin-4-ylmethyl)amino]-N-(3-methoxyphenyl)acetamide;hydrochloride
CID 119929477
2-(N-ethylanilino)-N-(3-methoxyphenyl)acetamide
CID 51159812
2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-(3-methoxyphenyl)acetamide
CID 106615533

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-3-chloroprop-2-enyl]-ethylamino]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[[(E)-3-chloroprop-2-enyl]-ethylamino]-N-(3-methoxyphenyl)acetamide (CID 78831827) is 2-[[(E)-3-chloroprop-2-enyl]-ethylamino]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[[(E)-3-chloroprop-2-enyl]-ethylamino]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[[(E)-3-chloroprop-2-enyl]-ethylamino]-N-(3-methoxyphenyl)acetamide is CCN(C/C=C/Cl)CC(=O)Nc1cccc(OC)c1.
What is the InChIKey of 2-[[(E)-3-chloroprop-2-enyl]-ethylamino]-N-(3-methoxyphenyl)acetamide?
The InChIKey is HODQAHXSAJLVRL-VMPITWQZSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-3-17(9-5-8-15)11-14(18)16-12-6-4-7-13(10-12)19-2/h4-8,10H,3,9,11H2,1-2H3,(H,16,18)/b8-5+.
What are the key properties of 2-[[(E)-3-chloroprop-2-enyl]-ethylamino]-N-(3-methoxyphenyl)acetamide?
2-[[(E)-3-chloroprop-2-enyl]-ethylamino]-N-(3-methoxyphenyl)acetamide has a molecular weight of 282.77 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-3-chloroprop-2-enyl]-ethylamino]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 78831827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).