(E)-N-(3,4-dihydro-2H-chromen-4-yl)-3-(2,3-dimethoxyphenyl)prop-2-enamide

C20H21NO4 — CID 46813693

IUPAC(E)-N-(3,4-dihydro-2H-chromen-4-yl)-3-(2,3-dimethoxyphenyl)prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)NC2CCOc3ccccc32)c1OC
InChIInChI=1S/C20H21NO4/c1-23-18-9-5-6-14(20(18)24-2)10-11-19(22)21-16-12-13-25-17-8-4-3-7-15(16)17/h3-11,16H,12-13H2,1-2H3,(H,21,22)/b11-10+
InChIKeyOURFCTJDXAFKTG-ZHACJKMWSA-N
MW339.39 g/mol
LogP3.36
Rot. Bonds5

About (E)-N-(3,4-dihydro-2H-chromen-4-yl)-3-(2,3-dimethoxyphenyl)prop-2-enamide

(E)-N-(3,4-dihydro-2H-chromen-4-yl)-3-(2,3-dimethoxyphenyl)prop-2-enamide (PubChem CID 46813693) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is (E)-N-(3,4-dihydro-2H-chromen-4-yl)-3-(2,3-dimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3,4-dihydro-2H-chromen-4-yl)-3-(2,3-dimethoxyphenyl)prop-2-enamide
PubChem CID46813693
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name(E)-N-(3,4-dihydro-2H-chromen-4-yl)-3-(2,3-dimethoxyphenyl)prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)NC2CCOc3ccccc32)c1OC
InChIInChI=1S/C20H21NO4/c1-23-18-9-5-6-14(20(18)24-2)10-11-19(22)21-16-12-13-25-17-8-4-3-7-15(16)17/h3-11,16H,12-13H2,1-2H3,(H,21,22)/b11-10+
InChIKeyOURFCTJDXAFKTG-ZHACJKMWSA-N
XLogP3.36
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2-chlorophenyl)-N-(3,4-dihydro-2H-chromen-4-yl)prop-2-enamide
CID 108757177
(E)-3-(2,3-dimethoxyphenyl)-N-[(1S,2S)-2-methylcyclohexyl]prop-2-enamide
CID 8004597
(E)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 108757483
(E)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 30400382
(E)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enamide
CID 59170806
(E)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enamide
CID 59170948
(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 2085926
(E)-N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-3-(2-methoxyphenyl)prop-2-enamide
CID 100695082
(E)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 8004691
(E)-3-(2-chlorophenyl)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)prop-2-enamide
CID 108757471
(E)-N-(3,4-dihydro-2H-chromen-4-yl)-3-(4-nitrophenyl)prop-2-enamide
CID 18192972
N'-[3-(2,3-dimethoxyphenyl)prop-2-enoyl]benzohydrazide
CID 4789480

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3,4-dihydro-2H-chromen-4-yl)-3-(2,3-dimethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(3,4-dihydro-2H-chromen-4-yl)-3-(2,3-dimethoxyphenyl)prop-2-enamide (CID 46813693) is (E)-N-(3,4-dihydro-2H-chromen-4-yl)-3-(2,3-dimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3,4-dihydro-2H-chromen-4-yl)-3-(2,3-dimethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(3,4-dihydro-2H-chromen-4-yl)-3-(2,3-dimethoxyphenyl)prop-2-enamide is COc1cccc(/C=C/C(=O)NC2CCOc3ccccc32)c1OC.
What is the InChIKey of (E)-N-(3,4-dihydro-2H-chromen-4-yl)-3-(2,3-dimethoxyphenyl)prop-2-enamide?
The InChIKey is OURFCTJDXAFKTG-ZHACJKMWSA-N. The full InChI is InChI=1S/C20H21NO4/c1-23-18-9-5-6-14(20(18)24-2)10-11-19(22)21-16-12-13-25-17-8-4-3-7-15(16)17/h3-11,16H,12-13H2,1-2H3,(H,21,22)/b11-10+.
What are the key properties of (E)-N-(3,4-dihydro-2H-chromen-4-yl)-3-(2,3-dimethoxyphenyl)prop-2-enamide?
(E)-N-(3,4-dihydro-2H-chromen-4-yl)-3-(2,3-dimethoxyphenyl)prop-2-enamide has a molecular weight of 339.39 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3,4-dihydro-2H-chromen-4-yl)-3-(2,3-dimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 46813693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).