(E)-3-(3-methoxyphenyl)-N-(2-propan-2-ylindazol-5-yl)prop-2-enamide

C20H21N3O2 — CID 86973464

IUPAC(E)-3-(3-methoxyphenyl)-N-(2-propan-2-ylindazol-5-yl)prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)Nc2ccc3nn(C(C)C)cc3c2)c1
InChIInChI=1S/C20H21N3O2/c1-14(2)23-13-16-12-17(8-9-19(16)22-23)21-20(24)10-7-15-5-4-6-18(11-15)25-3/h4-14H,1-3H3,(H,21,24)/b10-7+
InChIKeyKSTHVKHDWYCGTQ-JXMROGBWSA-N
MW335.41 g/mol
LogP4.28
Rot. Bonds5

About (E)-3-(3-methoxyphenyl)-N-(2-propan-2-ylindazol-5-yl)prop-2-enamide

(E)-3-(3-methoxyphenyl)-N-(2-propan-2-ylindazol-5-yl)prop-2-enamide (PubChem CID 86973464) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is (E)-3-(3-methoxyphenyl)-N-(2-propan-2-ylindazol-5-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-methoxyphenyl)-N-(2-propan-2-ylindazol-5-yl)prop-2-enamide
PubChem CID86973464
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name(E)-3-(3-methoxyphenyl)-N-(2-propan-2-ylindazol-5-yl)prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)Nc2ccc3nn(C(C)C)cc3c2)c1
InChIInChI=1S/C20H21N3O2/c1-14(2)23-13-16-12-17(8-9-19(16)22-23)21-20(24)10-7-15-5-4-6-18(11-15)25-3/h4-14H,1-3H3,(H,21,24)/b10-7+
InChIKeyKSTHVKHDWYCGTQ-JXMROGBWSA-N
XLogP4.28
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.28
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

3-(3-methoxyphenyl)-N-(2-methyl-1,3-benzoxazol-6-yl)prop-2-enamide
CID 103597812
(E)-3-(3-methoxyphenyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)prop-2-enamide
CID 26956084
N,N-diethyl-3-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]benzamide
CID 26712685
3-(3-methoxyphenyl)-N-(1H-pyrazol-4-yl)prop-2-enamide
CID 47177700
(E)-N-(3-chloro-4-cyanophenyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 26664640
(E)-3-(3-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 2684281
(E)-3-(3-methoxyphenyl)-N-[3-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359675
(E)-3-(3-methoxyphenyl)-N-(4-methoxy-3-sulfamoylphenyl)prop-2-enamide
CID 24634483
(E)-N-(3-acetamidophenyl)-3-(3,5-dimethoxyphenyl)prop-2-enamide
CID 26688768
3-[3-(hydroxyamino)-3-oxoprop-1-enyl]-N-(3-methoxyphenyl)benzamide
CID 174203715
(E)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-methoxyphenyl)prop-2-enamide
CID 8797787
(E)-3-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]prop-2-enamide
CID 17219787

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-methoxyphenyl)-N-(2-propan-2-ylindazol-5-yl)prop-2-enamide?
The IUPAC name of (E)-3-(3-methoxyphenyl)-N-(2-propan-2-ylindazol-5-yl)prop-2-enamide (CID 86973464) is (E)-3-(3-methoxyphenyl)-N-(2-propan-2-ylindazol-5-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-methoxyphenyl)-N-(2-propan-2-ylindazol-5-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-methoxyphenyl)-N-(2-propan-2-ylindazol-5-yl)prop-2-enamide is COc1cccc(/C=C/C(=O)Nc2ccc3nn(C(C)C)cc3c2)c1.
What is the InChIKey of (E)-3-(3-methoxyphenyl)-N-(2-propan-2-ylindazol-5-yl)prop-2-enamide?
The InChIKey is KSTHVKHDWYCGTQ-JXMROGBWSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-14(2)23-13-16-12-17(8-9-19(16)22-23)21-20(24)10-7-15-5-4-6-18(11-15)25-3/h4-14H,1-3H3,(H,21,24)/b10-7+.
What are the key properties of (E)-3-(3-methoxyphenyl)-N-(2-propan-2-ylindazol-5-yl)prop-2-enamide?
(E)-3-(3-methoxyphenyl)-N-(2-propan-2-ylindazol-5-yl)prop-2-enamide has a molecular weight of 335.41 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-methoxyphenyl)-N-(2-propan-2-ylindazol-5-yl)prop-2-enamide is sourced from PubChem (CID 86973464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).