(E)-3-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]prop-2-enamide

C19H21NO3 — CID 26618934

IUPAC(E)-3-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]prop-2-enamide
SMILESCOc1ccccc1/C=C/C(=O)N[C@@H](C)c1ccccc1OC
InChIInChI=1S/C19H21NO3/c1-14(16-9-5-7-11-18(16)23-3)20-19(21)13-12-15-8-4-6-10-17(15)22-2/h4-14H,1-3H3,(H,20,21)/b13-12+/t14-/m0/s1
InChIKeyVDSUWMUSXDFPFT-FNDVETGQSA-N
MW311.38 g/mol
LogP3.59
Rot. Bonds6

About (E)-3-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]prop-2-enamide

(E)-3-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]prop-2-enamide (PubChem CID 26618934) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is (E)-3-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]prop-2-enamide
PubChem CID26618934
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name(E)-3-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]prop-2-enamide
SMILESCOc1ccccc1/C=C/C(=O)N[C@@H](C)c1ccccc1OC
InChIInChI=1S/C19H21NO3/c1-14(16-9-5-7-11-18(16)23-3)20-19(21)13-12-15-8-4-6-10-17(15)22-2/h4-14H,1-3H3,(H,20,21)/b13-12+/t14-/m0/s1
InChIKeyVDSUWMUSXDFPFT-FNDVETGQSA-N
XLogP3.59
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.59
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-methoxyphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]prop-2-enamide
CID 26618935
(E)-3-(2,5-dimethoxyphenyl)-N-[1-(2-methoxyphenyl)ethyl]prop-2-enamide
CID 51144624
(E)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 28580052
(E)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 92672766
(E)-3-(2-methoxyphenyl)-N-[1-(5-methylfuran-2-yl)ethyl]prop-2-enamide
CID 78798391
(E)-N-[(1R)-1-(2-bromophenyl)ethyl]-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 9220137
(E)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 92682297
(E)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 7719138
(2R)-2-[3-(2-methoxyphenyl)prop-2-enoylamino]-3-methylbutanoic acid
CID 79011008
(E)-N-[1-(2-chlorophenyl)ethyl]-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide
CID 46612539
3-(furan-2-yl)-N-[1-(2-methoxyphenyl)ethyl]prop-2-enamide
CID 4820314
(E)-3-(2-methoxyphenyl)-N-[(2R)-2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]propyl]prop-2-enamide
CID 40648014

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]prop-2-enamide (CID 26618934) is (E)-3-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]prop-2-enamide is COc1ccccc1/C=C/C(=O)N[C@@H](C)c1ccccc1OC.
What is the InChIKey of (E)-3-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]prop-2-enamide?
The InChIKey is VDSUWMUSXDFPFT-FNDVETGQSA-N. The full InChI is InChI=1S/C19H21NO3/c1-14(16-9-5-7-11-18(16)23-3)20-19(21)13-12-15-8-4-6-10-17(15)22-2/h4-14H,1-3H3,(H,20,21)/b13-12+/t14-/m0/s1.
What are the key properties of (E)-3-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]prop-2-enamide?
(E)-3-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]prop-2-enamide has a molecular weight of 311.38 g/mol, XLogP of 3.59, 6 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-[(1S)-1-(2-methoxyphenyl)ethyl]prop-2-enamide is sourced from PubChem (CID 26618934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).