N-(2-methoxyethyl)-2-[[(E)-3-(3-methoxy-4-prop-2-ynoxyphenyl)prop-2-enoyl]amino]benzamide

C23H24N2O5 — CID 135289953

IUPACN-(2-methoxyethyl)-2-[[(E)-3-(3-methoxy-4-prop-2-ynoxyphenyl)prop-2-enoyl]amino]benzamide
SMILESC#CCOc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)NCCOC)cc1OC
InChIInChI=1S/C23H24N2O5/c1-4-14-30-20-11-9-17(16-21(20)29-3)10-12-22(26)25-19-8-6-5-7-18(19)23(27)24-13-15-28-2/h1,5-12,16H,13-15H2,2-3H3,(H,24,27)(H,25,26)/b12-10+
InChIKeyJGCLWWLCQMPSLL-ZRDIBKRKSA-N
MW408.45 g/mol
LogP2.74
Rot. Bonds10

About N-(2-methoxyethyl)-2-[[(E)-3-(3-methoxy-4-prop-2-ynoxyphenyl)prop-2-enoyl]amino]benzamide

N-(2-methoxyethyl)-2-[[(E)-3-(3-methoxy-4-prop-2-ynoxyphenyl)prop-2-enoyl]amino]benzamide (PubChem CID 135289953) has the molecular formula C23H24N2O5 and a molecular weight of 408.45 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[[(E)-3-(3-methoxy-4-prop-2-ynoxyphenyl)prop-2-enoyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[[(E)-3-(3-methoxy-4-prop-2-ynoxyphenyl)prop-2-enoyl]amino]benzamide
PubChem CID135289953
Molecular FormulaC23H24N2O5
Molecular Weight408.45 g/mol
Exact Mass408.17
IUPAC NameN-(2-methoxyethyl)-2-[[(E)-3-(3-methoxy-4-prop-2-ynoxyphenyl)prop-2-enoyl]amino]benzamide
SMILESC#CCOc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)NCCOC)cc1OC
InChIInChI=1S/C23H24N2O5/c1-4-14-30-20-11-9-17(16-21(20)29-3)10-12-22(26)25-19-8-6-5-7-18(19)23(27)24-13-15-28-2/h1,5-12,16H,13-15H2,2-3H3,(H,24,27)(H,25,26)/b12-10+
InChIKeyJGCLWWLCQMPSLL-ZRDIBKRKSA-N
XLogP2.74
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(3,4-dimethoxyphenyl)prop-2-enoylamino]-N-prop-2-ynylbenzamide
CID 74334393
2-[3-(3-methoxy-4-prop-2-ynoxyphenyl)prop-2-enoylamino]-N-piperidin-4-ylbenzamide
CID 146373898
2-[3-(3-methoxy-4-prop-2-ynoxyphenyl)prop-2-enoylamino]-N-(oxetan-3-yl)benzamide
CID 146373903
(E)-3-(3-methoxy-4-prop-2-ynoxyphenyl)-N-(2-methylphenyl)prop-2-enamide
CID 135290044
N-[2-(dimethylamino)ethyl]-2-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enoylamino]benzamide;hydrochloride
CID 67648367
2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-N-(2-methoxyethyl)benzamide
CID 40715780
2-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]-N-(2-methoxyethyl)benzamide
CID 34762755
N-(2-methoxyethyl)-2-[[(E)-3-(2,3,4-trimethoxyphenyl)prop-2-enoyl]amino]benzamide
CID 6142313
methyl 2-[3-(3-methoxy-4-propoxyphenyl)prop-2-enoylamino]benzoate
CID 4224140
N-[2-(2-hydroxyethoxy)ethyl]-2-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzamide
CID 67648342
2-[[(E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 55415663
2-[[(E)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enoyl]amino]benzoic acid
CID 67889825

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[[(E)-3-(3-methoxy-4-prop-2-ynoxyphenyl)prop-2-enoyl]amino]benzamide?
The IUPAC name of N-(2-methoxyethyl)-2-[[(E)-3-(3-methoxy-4-prop-2-ynoxyphenyl)prop-2-enoyl]amino]benzamide (CID 135289953) is N-(2-methoxyethyl)-2-[[(E)-3-(3-methoxy-4-prop-2-ynoxyphenyl)prop-2-enoyl]amino]benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[[(E)-3-(3-methoxy-4-prop-2-ynoxyphenyl)prop-2-enoyl]amino]benzamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[[(E)-3-(3-methoxy-4-prop-2-ynoxyphenyl)prop-2-enoyl]amino]benzamide is C#CCOc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)NCCOC)cc1OC.
What is the InChIKey of N-(2-methoxyethyl)-2-[[(E)-3-(3-methoxy-4-prop-2-ynoxyphenyl)prop-2-enoyl]amino]benzamide?
The InChIKey is JGCLWWLCQMPSLL-ZRDIBKRKSA-N. The full InChI is InChI=1S/C23H24N2O5/c1-4-14-30-20-11-9-17(16-21(20)29-3)10-12-22(26)25-19-8-6-5-7-18(19)23(27)24-13-15-28-2/h1,5-12,16H,13-15H2,2-3H3,(H,24,27)(H,25,26)/b12-10+.
What are the key properties of N-(2-methoxyethyl)-2-[[(E)-3-(3-methoxy-4-prop-2-ynoxyphenyl)prop-2-enoyl]amino]benzamide?
N-(2-methoxyethyl)-2-[[(E)-3-(3-methoxy-4-prop-2-ynoxyphenyl)prop-2-enoyl]amino]benzamide has a molecular weight of 408.45 g/mol, XLogP of 2.74, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[[(E)-3-(3-methoxy-4-prop-2-ynoxyphenyl)prop-2-enoyl]amino]benzamide is sourced from PubChem (CID 135289953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).