3,4-dimethoxy-N-[2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]ethyl]benzamide

C21H24N2O5 — CID 108935148

IUPAC3,4-dimethoxy-N-[2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]ethyl]benzamide
SMILESCOc1ccccc1/C=C/C(=O)NCCNC(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C21H24N2O5/c1-26-17-7-5-4-6-15(17)9-11-20(24)22-12-13-23-21(25)16-8-10-18(27-2)19(14-16)28-3/h4-11,14H,12-13H2,1-3H3,(H,22,24)(H,23,25)/b11-9+
InChIKeyUGPIAVVHMAYJMP-PKNBQFBNSA-N
MW384.43 g/mol
LogP2.27
Rot. Bonds9

About 3,4-dimethoxy-N-[2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]ethyl]benzamide

3,4-dimethoxy-N-[2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]ethyl]benzamide (PubChem CID 108935148) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]ethyl]benzamide
PubChem CID108935148
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Name3,4-dimethoxy-N-[2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]ethyl]benzamide
SMILESCOc1ccccc1/C=C/C(=O)NCCNC(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C21H24N2O5/c1-26-17-7-5-4-6-15(17)9-11-20(24)22-12-13-23-21(25)16-8-10-18(27-2)19(14-16)28-3/h4-11,14H,12-13H2,1-3H3,(H,22,24)(H,23,25)/b11-9+
InChIKeyUGPIAVVHMAYJMP-PKNBQFBNSA-N
XLogP2.27
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 52.27
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'}

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Related Compounds

3,4-dimethoxy-N-[2-[[(E)-3-(2-methylphenyl)prop-2-enoyl]amino]ethyl]benzamide
CID 108935147
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-ethoxyphenyl)prop-2-enamide
CID 4646130
N'-[(E)-3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]-3,4-dimethoxybenzohydrazide
CID 26025403
(E)-3-(5-bromo-2-methoxyphenyl)-N-[2-(2-methoxyphenoxy)ethyl]prop-2-enamide
CID 26555434
N-heptyl-3-(2-methoxyphenyl)prop-2-enamide
CID 3506378
N-butyl-4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]benzamide
CID 17195121
4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]-N-(3-methoxypropyl)benzamide
CID 17204984
N-[2-[[(E)-3-cyclohexylprop-2-enoyl]amino]ethyl]-3,4-dimethoxybenzamide
CID 108935169
(E)-N-[2-[4-(hydroxycarbamothioyl)phenoxy]ethyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 87640882
(E)-3-(2-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide
CID 768479
(E)-3-(2-bromophenyl)-N-[2-(2-methoxyphenoxy)ethyl]prop-2-enamide
CID 26555515
3-(3,4-dimethoxyphenyl)-N-[2-(2-methoxyphenoxy)ethyl]prop-2-enamide
CID 5217365

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]ethyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]ethyl]benzamide (CID 108935148) is 3,4-dimethoxy-N-[2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]ethyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]ethyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]ethyl]benzamide is COc1ccccc1/C=C/C(=O)NCCNC(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of 3,4-dimethoxy-N-[2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]ethyl]benzamide?
The InChIKey is UGPIAVVHMAYJMP-PKNBQFBNSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-26-17-7-5-4-6-15(17)9-11-20(24)22-12-13-23-21(25)16-8-10-18(27-2)19(14-16)28-3/h4-11,14H,12-13H2,1-3H3,(H,22,24)(H,23,25)/b11-9+.
What are the key properties of 3,4-dimethoxy-N-[2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]ethyl]benzamide?
3,4-dimethoxy-N-[2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]ethyl]benzamide has a molecular weight of 384.43 g/mol, XLogP of 2.27, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]ethyl]benzamide is sourced from PubChem (CID 108935148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).