(E)-3-(2-methoxyphenyl)-N-[1-(2-methylphenoxy)propan-2-yl]prop-2-enamide

C20H23NO3 — CID 132651000

IUPAC(E)-3-(2-methoxyphenyl)-N-[1-(2-methylphenoxy)propan-2-yl]prop-2-enamide
SMILESCOc1ccccc1/C=C/C(=O)NC(C)COc1ccccc1C
InChIInChI=1S/C20H23NO3/c1-15-8-4-6-10-18(15)24-14-16(2)21-20(22)13-12-17-9-5-7-11-19(17)23-3/h4-13,16H,14H2,1-3H3,(H,21,22)/b13-12+
InChIKeyDOXGQHMGAWCVNE-OUKQBFOZSA-N
MW325.41 g/mol
LogP3.60
Rot. Bonds7

About (E)-3-(2-methoxyphenyl)-N-[1-(2-methylphenoxy)propan-2-yl]prop-2-enamide

(E)-3-(2-methoxyphenyl)-N-[1-(2-methylphenoxy)propan-2-yl]prop-2-enamide (PubChem CID 132651000) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is (E)-3-(2-methoxyphenyl)-N-[1-(2-methylphenoxy)propan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-methoxyphenyl)-N-[1-(2-methylphenoxy)propan-2-yl]prop-2-enamide
PubChem CID132651000
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name(E)-3-(2-methoxyphenyl)-N-[1-(2-methylphenoxy)propan-2-yl]prop-2-enamide
SMILESCOc1ccccc1/C=C/C(=O)NC(C)COc1ccccc1C
InChIInChI=1S/C20H23NO3/c1-15-8-4-6-10-18(15)24-14-16(2)21-20(22)13-12-17-9-5-7-11-19(17)23-3/h4-13,16H,14H2,1-3H3,(H,21,22)/b13-12+
InChIKeyDOXGQHMGAWCVNE-OUKQBFOZSA-N
XLogP3.60
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2,4-dichlorophenyl)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]prop-2-enamide
CID 99996229
(E)-3-(2-methoxyphenyl)-N-[(2R)-2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]propyl]prop-2-enamide
CID 40648014
ethyl 2-[3-(2-methoxyphenyl)prop-2-enoylamino]propanoate
CID 76898175
(E)-3-(2-methoxyphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]prop-2-enamide
CID 26618935
(E)-3-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]prop-2-enamide
CID 26618934
3-methoxy-2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]propanoic acid
CID 81077200
(E)-N-[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]propyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 40618833
(E)-N-[1-(4-butan-2-ylphenyl)propyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 17371624
(2R)-2-[3-(2-methoxyphenyl)prop-2-enoylamino]-3-methylbutanoic acid
CID 79011008
(E)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 28580052
(E)-N-[(1S)-2-hydroxy-1-phenylethyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 110001866
(E)-3-(2-methoxyphenyl)-N-[1-(5-methylfuran-2-yl)ethyl]prop-2-enamide
CID 78798391

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-methoxyphenyl)-N-[1-(2-methylphenoxy)propan-2-yl]prop-2-enamide?
The IUPAC name of (E)-3-(2-methoxyphenyl)-N-[1-(2-methylphenoxy)propan-2-yl]prop-2-enamide (CID 132651000) is (E)-3-(2-methoxyphenyl)-N-[1-(2-methylphenoxy)propan-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-methoxyphenyl)-N-[1-(2-methylphenoxy)propan-2-yl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-methoxyphenyl)-N-[1-(2-methylphenoxy)propan-2-yl]prop-2-enamide is COc1ccccc1/C=C/C(=O)NC(C)COc1ccccc1C.
What is the InChIKey of (E)-3-(2-methoxyphenyl)-N-[1-(2-methylphenoxy)propan-2-yl]prop-2-enamide?
The InChIKey is DOXGQHMGAWCVNE-OUKQBFOZSA-N. The full InChI is InChI=1S/C20H23NO3/c1-15-8-4-6-10-18(15)24-14-16(2)21-20(22)13-12-17-9-5-7-11-19(17)23-3/h4-13,16H,14H2,1-3H3,(H,21,22)/b13-12+.
What are the key properties of (E)-3-(2-methoxyphenyl)-N-[1-(2-methylphenoxy)propan-2-yl]prop-2-enamide?
(E)-3-(2-methoxyphenyl)-N-[1-(2-methylphenoxy)propan-2-yl]prop-2-enamide has a molecular weight of 325.41 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-methoxyphenyl)-N-[1-(2-methylphenoxy)propan-2-yl]prop-2-enamide is sourced from PubChem (CID 132651000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).