ethyl (E)-3-[4-[[2-[ethyl(2-methylprop-2-enyl)amino]acetyl]amino]phenyl]prop-2-enoate

C19H26N2O3 — CID 86913392

IUPACethyl (E)-3-[4-[[2-[ethyl(2-methylprop-2-enyl)amino]acetyl]amino]phenyl]prop-2-enoate
SMILESC=C(C)CN(CC)CC(=O)Nc1ccc(/C=C/C(=O)OCC)cc1
InChIInChI=1S/C19H26N2O3/c1-5-21(13-15(3)4)14-18(22)20-17-10-7-16(8-11-17)9-12-19(23)24-6-2/h7-12H,3,5-6,13-14H2,1-2,4H3,(H,20,22)/b12-9+
InChIKeyLCNCNTUSQLQEQF-FMIVXFBMSA-N
MW330.43 g/mol
LogP3.10
Rot. Bonds9

About ethyl (E)-3-[4-[[2-[ethyl(2-methylprop-2-enyl)amino]acetyl]amino]phenyl]prop-2-enoate

ethyl (E)-3-[4-[[2-[ethyl(2-methylprop-2-enyl)amino]acetyl]amino]phenyl]prop-2-enoate (PubChem CID 86913392) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is ethyl (E)-3-[4-[[2-[ethyl(2-methylprop-2-enyl)amino]acetyl]amino]phenyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-[4-[[2-[ethyl(2-methylprop-2-enyl)amino]acetyl]amino]phenyl]prop-2-enoate
PubChem CID86913392
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Nameethyl (E)-3-[4-[[2-[ethyl(2-methylprop-2-enyl)amino]acetyl]amino]phenyl]prop-2-enoate
SMILESC=C(C)CN(CC)CC(=O)Nc1ccc(/C=C/C(=O)OCC)cc1
InChIInChI=1S/C19H26N2O3/c1-5-21(13-15(3)4)14-18(22)20-17-10-7-16(8-11-17)9-12-19(23)24-6-2/h7-12H,3,5-6,13-14H2,1-2,4H3,(H,20,22)/b12-9+
InChIKeyLCNCNTUSQLQEQF-FMIVXFBMSA-N
XLogP3.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 18127350
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ethyl (E)-3-[4-[[2-[cyclopentyl(propan-2-yl)amino]acetyl]amino]phenyl]prop-2-enoate
CID 56570012
ethyl (E)-3-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]prop-2-enoate
CID 27902551
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CID 86976719
ethyl (E)-3-[4-[(2-amino-2-methylpropanoyl)amino]phenyl]prop-2-enoate
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CID 58866370
2-[ethyl(2-methylprop-2-enyl)amino]-N-(3-fluoro-4-methylphenyl)acetamide
CID 78787772
ethyl (E)-3-[4-[[2-[furan-2-ylmethyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]acetyl]amino]phenyl]prop-2-enoate
CID 30798209
2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(4-methylphenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-[4-[[2-[ethyl(2-methylprop-2-enyl)amino]acetyl]amino]phenyl]prop-2-enoate?
The IUPAC name of ethyl (E)-3-[4-[[2-[ethyl(2-methylprop-2-enyl)amino]acetyl]amino]phenyl]prop-2-enoate (CID 86913392) is ethyl (E)-3-[4-[[2-[ethyl(2-methylprop-2-enyl)amino]acetyl]amino]phenyl]prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-[4-[[2-[ethyl(2-methylprop-2-enyl)amino]acetyl]amino]phenyl]prop-2-enoate?
The canonical SMILES for ethyl (E)-3-[4-[[2-[ethyl(2-methylprop-2-enyl)amino]acetyl]amino]phenyl]prop-2-enoate is C=C(C)CN(CC)CC(=O)Nc1ccc(/C=C/C(=O)OCC)cc1.
What is the InChIKey of ethyl (E)-3-[4-[[2-[ethyl(2-methylprop-2-enyl)amino]acetyl]amino]phenyl]prop-2-enoate?
The InChIKey is LCNCNTUSQLQEQF-FMIVXFBMSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-5-21(13-15(3)4)14-18(22)20-17-10-7-16(8-11-17)9-12-19(23)24-6-2/h7-12H,3,5-6,13-14H2,1-2,4H3,(H,20,22)/b12-9+.
What are the key properties of ethyl (E)-3-[4-[[2-[ethyl(2-methylprop-2-enyl)amino]acetyl]amino]phenyl]prop-2-enoate?
ethyl (E)-3-[4-[[2-[ethyl(2-methylprop-2-enyl)amino]acetyl]amino]phenyl]prop-2-enoate has a molecular weight of 330.43 g/mol, XLogP of 3.10, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-[4-[[2-[ethyl(2-methylprop-2-enyl)amino]acetyl]amino]phenyl]prop-2-enoate is sourced from PubChem (CID 86913392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).