ethyl (E)-3-(4-amino-3-propylphenyl)prop-2-enoate

C14H19NO2 — CID 70185361

IUPACethyl (E)-3-(4-amino-3-propylphenyl)prop-2-enoate
SMILESCCCc1cc(/C=C/C(=O)OCC)ccc1N
InChIInChI=1S/C14H19NO2/c1-3-5-12-10-11(6-8-13(12)15)7-9-14(16)17-4-2/h6-10H,3-5,15H2,1-2H3/b9-7+
InChIKeyIHBDJXNQSXUENS-VQHVLOKHSA-N
MW233.31 g/mol
LogP2.80
Rot. Bonds5

About ethyl (E)-3-(4-amino-3-propylphenyl)prop-2-enoate

ethyl (E)-3-(4-amino-3-propylphenyl)prop-2-enoate (PubChem CID 70185361) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is ethyl (E)-3-(4-amino-3-propylphenyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-(4-amino-3-propylphenyl)prop-2-enoate
PubChem CID70185361
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Nameethyl (E)-3-(4-amino-3-propylphenyl)prop-2-enoate
SMILESCCCc1cc(/C=C/C(=O)OCC)ccc1N
InChIInChI=1S/C14H19NO2/c1-3-5-12-10-11(6-8-13(12)15)7-9-14(16)17-4-2/h6-10H,3-5,15H2,1-2H3/b9-7+
InChIKeyIHBDJXNQSXUENS-VQHVLOKHSA-N
XLogP2.80
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-(3,4-diaminophenyl)prop-2-enoate
CID 169480115
ethyl 3-[3-amino-4-(3-ethoxy-3-oxoprop-1-enyl)phenyl]prop-2-enoate
CID 2749811
methyl 2-amino-5-(3-ethoxy-3-oxoprop-1-enyl)benzoate
CID 169480837
ethyl (E)-3-[3-(2-ethoxy-2-oxoethyl)-4-fluorophenyl]prop-2-enoate
CID 135031086
ethyl (E)-3-[4-amino-3-(1-methoxypropyl)phenyl]prop-2-enoate
CID 70184605
ethyl 3-(3-hydroxy-4-methylphenyl)prop-2-enoate
CID 169480077
ethyl (Z)-3-(3-ethyl-4-nitrophenyl)prop-2-enoate
CID 134310694
methyl 5-[(E)-3-ethoxy-3-oxoprop-1-enyl]-2-[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]-2-methoxycarbonylphenyl]benzoate
CID 10528197
ethyl 3-(6-hydroxynaphthalen-2-yl)prop-2-enoate
CID 131876701
ethyl (E)-3-(2-amino-4-pyridinyl)prop-2-enoate
CID 68688040
ethyl (E)-3-[3-[5-[(E)-3-ethoxy-3-oxoprop-1-enyl]-2-methoxyphenyl]-4-methoxyphenyl]prop-2-enoate
CID 23242190
2-[4-(3-ethoxy-3-oxoprop-1-enyl)-2-methoxyphenyl]acetic acid
CID 169481023

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-(4-amino-3-propylphenyl)prop-2-enoate?
The IUPAC name of ethyl (E)-3-(4-amino-3-propylphenyl)prop-2-enoate (CID 70185361) is ethyl (E)-3-(4-amino-3-propylphenyl)prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-(4-amino-3-propylphenyl)prop-2-enoate?
The canonical SMILES for ethyl (E)-3-(4-amino-3-propylphenyl)prop-2-enoate is CCCc1cc(/C=C/C(=O)OCC)ccc1N.
What is the InChIKey of ethyl (E)-3-(4-amino-3-propylphenyl)prop-2-enoate?
The InChIKey is IHBDJXNQSXUENS-VQHVLOKHSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-5-12-10-11(6-8-13(12)15)7-9-14(16)17-4-2/h6-10H,3-5,15H2,1-2H3/b9-7+.
What are the key properties of ethyl (E)-3-(4-amino-3-propylphenyl)prop-2-enoate?
ethyl (E)-3-(4-amino-3-propylphenyl)prop-2-enoate has a molecular weight of 233.31 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-(4-amino-3-propylphenyl)prop-2-enoate is sourced from PubChem (CID 70185361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).