(E)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-3-(2-methoxyphenyl)prop-2-enamide

C20H23NO2 — CID 28580052

IUPAC(E)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-3-(2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccccc1/C=C/C(=O)N[C@@H](C)c1ccc(C)cc1C
InChIInChI=1S/C20H23NO2/c1-14-9-11-18(15(2)13-14)16(3)21-20(22)12-10-17-7-5-6-8-19(17)23-4/h5-13,16H,1-4H3,(H,21,22)/b12-10+/t16-/m0/s1
InChIKeyTWEZAZLHXBBNCK-TYZQSYOASA-N
MW309.41 g/mol
LogP4.20
Rot. Bonds5

About (E)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-3-(2-methoxyphenyl)prop-2-enamide

(E)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-3-(2-methoxyphenyl)prop-2-enamide (PubChem CID 28580052) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is (E)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-3-(2-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-3-(2-methoxyphenyl)prop-2-enamide
PubChem CID28580052
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name(E)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-3-(2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccccc1/C=C/C(=O)N[C@@H](C)c1ccc(C)cc1C
InChIInChI=1S/C20H23NO2/c1-14-9-11-18(15(2)13-14)16(3)21-20(22)12-10-17-7-5-6-8-19(17)23-4/h5-13,16H,1-4H3,(H,21,22)/b12-10+/t16-/m0/s1
InChIKeyTWEZAZLHXBBNCK-TYZQSYOASA-N
XLogP4.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]prop-2-enamide
CID 26618934
(E)-3-(2-methoxyphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]prop-2-enamide
CID 26618935
(E)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 38018786
(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)-3-(2,5-dimethoxyphenyl)-N-[1-(2-methoxyphenyl)ethyl]prop-2-enamide
CID 51144624
(E)-3-(2,4-dimethoxyphenyl)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]prop-2-enamide
CID 9262378
(E)-3-(2,6-dimethoxyphenyl)-N-[1-(2,4,5-trimethylphenyl)ethyl]prop-2-enamide
CID 43906876
(E)-3-(2-methoxyphenyl)-N-(2,4,6-trimethylphenyl)prop-2-enamide
CID 966729
(2S)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(2-methoxyphenoxy)propanamide
CID 94843715
(E)-3-(2-methoxyphenyl)-N-[(1S)-1-(4-methylphenyl)propyl]prop-2-enamide
CID 9297337
(E)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 92682297

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-3-(2-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-3-(2-methoxyphenyl)prop-2-enamide (CID 28580052) is (E)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-3-(2-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-3-(2-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-3-(2-methoxyphenyl)prop-2-enamide is COc1ccccc1/C=C/C(=O)N[C@@H](C)c1ccc(C)cc1C.
What is the InChIKey of (E)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-3-(2-methoxyphenyl)prop-2-enamide?
The InChIKey is TWEZAZLHXBBNCK-TYZQSYOASA-N. The full InChI is InChI=1S/C20H23NO2/c1-14-9-11-18(15(2)13-14)16(3)21-20(22)12-10-17-7-5-6-8-19(17)23-4/h5-13,16H,1-4H3,(H,21,22)/b12-10+/t16-/m0/s1.
What are the key properties of (E)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-3-(2-methoxyphenyl)prop-2-enamide?
(E)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-3-(2-methoxyphenyl)prop-2-enamide has a molecular weight of 309.41 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-3-(2-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 28580052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).