(E)-N-hydroxy-3-[5-[1-(3-methoxy-4,5-dimethylphenyl)ethenyl]-1H-indol-2-yl]prop-2-enamide

C22H22N2O3 — CID 161251929

IUPAC(E)-N-hydroxy-3-[5-[1-(3-methoxy-4,5-dimethylphenyl)ethenyl]-1H-indol-2-yl]prop-2-enamide
SMILESC=C(c1cc(C)c(C)c(OC)c1)c1ccc2[nH]c(/C=C/C(=O)NO)cc2c1
InChIInChI=1S/C22H22N2O3/c1-13-9-17(12-21(27-4)14(13)2)15(3)16-5-7-20-18(10-16)11-19(23-20)6-8-22(25)24-26/h5-12,23,26H,3H2,1-2,4H3,(H,24,25)/b8-6+
InChIKeyIEPGOJBRPWYYDN-SOFGYWHQSA-N
MW362.43 g/mol
LogP4.37
Rot. Bonds5

About (E)-N-hydroxy-3-[5-[1-(3-methoxy-4,5-dimethylphenyl)ethenyl]-1H-indol-2-yl]prop-2-enamide

(E)-N-hydroxy-3-[5-[1-(3-methoxy-4,5-dimethylphenyl)ethenyl]-1H-indol-2-yl]prop-2-enamide (PubChem CID 161251929) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[5-[1-(3-methoxy-4,5-dimethylphenyl)ethenyl]-1H-indol-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[5-[1-(3-methoxy-4,5-dimethylphenyl)ethenyl]-1H-indol-2-yl]prop-2-enamide
PubChem CID161251929
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name(E)-N-hydroxy-3-[5-[1-(3-methoxy-4,5-dimethylphenyl)ethenyl]-1H-indol-2-yl]prop-2-enamide
SMILESC=C(c1cc(C)c(C)c(OC)c1)c1ccc2[nH]c(/C=C/C(=O)NO)cc2c1
InChIInChI=1S/C22H22N2O3/c1-13-9-17(12-21(27-4)14(13)2)15(3)16-5-7-20-18(10-16)11-19(23-20)6-8-22(25)24-26/h5-12,23,26H,3H2,1-2,4H3,(H,24,25)/b8-6+
InChIKeyIEPGOJBRPWYYDN-SOFGYWHQSA-N
XLogP4.37
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-N-hydroxy-3-[2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 130205516
(E)-N-hydroxy-3-[5-methoxy-2-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 130205526
ethyl 2-[(E)-3,3,3-trifluoroprop-1-enyl]-1H-indole-5-carboxylate
CID 132942639
1-[2-[(E)-3,3,3-trifluoroprop-1-enyl]-1H-indol-5-yl]ethanone
CID 132942638
(Z)-3-(5-methyl-1H-indol-2-yl)prop-2-enamide
CID 170878076
(E)-3-(3,4-dimethoxyphenyl)-N-hydroxyprop-2-enamide
CID 6433880
5-methoxy-6-methyl-1H-indole-2-carbaldehyde
CID 82404708
N-hydroxy-3-(2-methoxyphenyl)prop-2-enamide
CID 123173944
4-[1-(3-methoxy-4-methylphenyl)ethenyl]benzenethiol
CID 166858262
(E)-3-(5-acetamido-1H-indol-2-yl)prop-2-enoic acid
CID 10752794
1-(3-methoxy-4-methylphenyl)-N-methylethenamine
CID 143056515
methyl 2-methoxy-5-(5-methoxy-1H-indol-2-yl)penta-2,4-dienoate
CID 54063713

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[5-[1-(3-methoxy-4,5-dimethylphenyl)ethenyl]-1H-indol-2-yl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[5-[1-(3-methoxy-4,5-dimethylphenyl)ethenyl]-1H-indol-2-yl]prop-2-enamide (CID 161251929) is (E)-N-hydroxy-3-[5-[1-(3-methoxy-4,5-dimethylphenyl)ethenyl]-1H-indol-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[5-[1-(3-methoxy-4,5-dimethylphenyl)ethenyl]-1H-indol-2-yl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[5-[1-(3-methoxy-4,5-dimethylphenyl)ethenyl]-1H-indol-2-yl]prop-2-enamide is C=C(c1cc(C)c(C)c(OC)c1)c1ccc2[nH]c(/C=C/C(=O)NO)cc2c1.
What is the InChIKey of (E)-N-hydroxy-3-[5-[1-(3-methoxy-4,5-dimethylphenyl)ethenyl]-1H-indol-2-yl]prop-2-enamide?
The InChIKey is IEPGOJBRPWYYDN-SOFGYWHQSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-13-9-17(12-21(27-4)14(13)2)15(3)16-5-7-20-18(10-16)11-19(23-20)6-8-22(25)24-26/h5-12,23,26H,3H2,1-2,4H3,(H,24,25)/b8-6+.
What are the key properties of (E)-N-hydroxy-3-[5-[1-(3-methoxy-4,5-dimethylphenyl)ethenyl]-1H-indol-2-yl]prop-2-enamide?
(E)-N-hydroxy-3-[5-[1-(3-methoxy-4,5-dimethylphenyl)ethenyl]-1H-indol-2-yl]prop-2-enamide has a molecular weight of 362.43 g/mol, XLogP of 4.37, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[5-[1-(3-methoxy-4,5-dimethylphenyl)ethenyl]-1H-indol-2-yl]prop-2-enamide is sourced from PubChem (CID 161251929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).