N-(4-ethoxy-1-methylindazol-7-yl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide

C20H21N3O4 — CID 67338693

IUPACN-(4-ethoxy-1-methylindazol-7-yl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(NC(=O)C=Cc2ccc(OC)c(O)c2)c2c1cnn2C
InChIInChI=1S/C20H21N3O4/c1-4-27-17-9-7-15(20-14(17)12-21-23(20)2)22-19(25)10-6-13-5-8-18(26-3)16(24)11-13/h5-12,24H,4H2,1-3H3,(H,22,25)
InChIKeyWOVOPDXGRDPAMO-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.34
Rot. Bonds6

About N-(4-ethoxy-1-methylindazol-7-yl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide

N-(4-ethoxy-1-methylindazol-7-yl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide (PubChem CID 67338693) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-(4-ethoxy-1-methylindazol-7-yl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-ethoxy-1-methylindazol-7-yl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide
PubChem CID67338693
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC NameN-(4-ethoxy-1-methylindazol-7-yl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(NC(=O)C=Cc2ccc(OC)c(O)c2)c2c1cnn2C
InChIInChI=1S/C20H21N3O4/c1-4-27-17-9-7-15(20-14(17)12-21-23(20)2)22-19(25)10-6-13-5-8-18(26-3)16(24)11-13/h5-12,24H,4H2,1-3H3,(H,22,25)
InChIKeyWOVOPDXGRDPAMO-UHFFFAOYSA-N
XLogP3.34
TPSA85.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3,4-dimethoxyphenyl)-N-(8-ethoxyquinolin-5-yl)prop-2-enamide
CID 39834698
3-(3,4-diethoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 732806
(E)-3-(3-hydroxy-4-methoxyphenyl)-N-[2-[[(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide
CID 155559259
N-(2-chloro-4-methoxyphenyl)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide
CID 103598924
(E)-N-(4-bromo-2-methylphenyl)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide
CID 9410498
(E)-N-(4-chloro-2-methylphenyl)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide
CID 8780190
(1E,6E)-1-(3-hydroxy-4-methoxyphenyl)-7-(1-methylpyrazol-4-yl)hepta-1,6-diene-3,5-dione
CID 68571387
(E)-3-(4-ethoxy-3-methoxyphenyl)-N-(2-pyrazol-1-ylphenyl)prop-2-enamide
CID 55647282
N-(2-chlorophenyl)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 5073679
3-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]amino]-4-methoxybenzoic acid
CID 28686572
N-(3-ethyl-2-prop-1-enylphenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide
CID 91362807
4-[[(E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoyl]amino]-3-methylbenzoic acid
CID 45383023

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-1-methylindazol-7-yl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide?
The IUPAC name of N-(4-ethoxy-1-methylindazol-7-yl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide (CID 67338693) is N-(4-ethoxy-1-methylindazol-7-yl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-(4-ethoxy-1-methylindazol-7-yl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for N-(4-ethoxy-1-methylindazol-7-yl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide is CCOc1ccc(NC(=O)C=Cc2ccc(OC)c(O)c2)c2c1cnn2C.
What is the InChIKey of N-(4-ethoxy-1-methylindazol-7-yl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide?
The InChIKey is WOVOPDXGRDPAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-4-27-17-9-7-15(20-14(17)12-21-23(20)2)22-19(25)10-6-13-5-8-18(26-3)16(24)11-13/h5-12,24H,4H2,1-3H3,(H,22,25).
What are the key properties of N-(4-ethoxy-1-methylindazol-7-yl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide?
N-(4-ethoxy-1-methylindazol-7-yl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide has a molecular weight of 367.41 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-1-methylindazol-7-yl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 67338693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).