N-[2-(2-methoxyphenoxy)ethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide

C21H24N2O4 — CID 51161276

IUPACN-[2-(2-methoxyphenoxy)ethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
SMILESCOc1ccccc1OCCNC(=O)C(C)NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C21H24N2O4/c1-16(23-20(24)13-12-17-8-4-3-5-9-17)21(25)22-14-15-27-19-11-7-6-10-18(19)26-2/h3-13,16H,14-15H2,1-2H3,(H,22,25)(H,23,24)/b13-12+
InChIKeyGEFRSTFTYTYLCG-OUKQBFOZSA-N
MW368.43 g/mol
LogP2.41
Rot. Bonds9

About N-[2-(2-methoxyphenoxy)ethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide

N-[2-(2-methoxyphenoxy)ethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide (PubChem CID 51161276) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is N-[2-(2-methoxyphenoxy)ethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenoxy)ethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
PubChem CID51161276
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC NameN-[2-(2-methoxyphenoxy)ethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
SMILESCOc1ccccc1OCCNC(=O)C(C)NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C21H24N2O4/c1-16(23-20(24)13-12-17-8-4-3-5-9-17)21(25)22-14-15-27-19-11-7-6-10-18(19)26-2/h3-13,16H,14-15H2,1-2H3,(H,22,25)(H,23,24)/b13-12+
InChIKeyGEFRSTFTYTYLCG-OUKQBFOZSA-N
XLogP2.41
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-[(2-methoxyphenyl)methyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 9270227
N-(2-hydroxyethyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 110877634
N-[(6-methoxy-3-pyridinyl)methyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 51306230
3-(3,4-dimethoxyphenyl)-N-[2-(2-methoxyphenoxy)ethyl]prop-2-enamide
CID 5217365
N-[2-(2-methoxyphenoxy)ethyl]-2-methylpropanamide
CID 113099759
N-[[2-(hydroxymethyl)phenyl]methyl]-2-(3-phenylprop-2-enoylamino)propanamide
CID 110908948
N-(3,4-dipropoxyphenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 55350434
2-[[(E)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoyl]amino]-N-propylpropanamide
CID 46520814
N-[2-(4-fluorophenyl)ethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 51165809
2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-N-propylpropanamide
CID 46819652
(E)-N-hydroxy-3-[4-[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethoxy]phenyl]prop-2-enamide
CID 24988770
N-methyl-2-(3-phenylprop-2-enoylamino)propanamide
CID 75266241

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenoxy)ethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide?
The IUPAC name of N-[2-(2-methoxyphenoxy)ethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide (CID 51161276) is N-[2-(2-methoxyphenoxy)ethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide.
What is the SMILES notation for N-[2-(2-methoxyphenoxy)ethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide?
The canonical SMILES for N-[2-(2-methoxyphenoxy)ethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide is COc1ccccc1OCCNC(=O)C(C)NC(=O)/C=C/c1ccccc1.
What is the InChIKey of N-[2-(2-methoxyphenoxy)ethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide?
The InChIKey is GEFRSTFTYTYLCG-OUKQBFOZSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-16(23-20(24)13-12-17-8-4-3-5-9-17)21(25)22-14-15-27-19-11-7-6-10-18(19)26-2/h3-13,16H,14-15H2,1-2H3,(H,22,25)(H,23,24)/b13-12+.
What are the key properties of N-[2-(2-methoxyphenoxy)ethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide?
N-[2-(2-methoxyphenoxy)ethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide has a molecular weight of 368.43 g/mol, XLogP of 2.41, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenoxy)ethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide is sourced from PubChem (CID 51161276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).