2-(N-ethyl-3-methylanilino)ethyl prop-2-enoate

C14H19NO2 — CID 137371297

IUPAC2-(N-ethyl-3-methylanilino)ethyl prop-2-enoate
SMILESC=CC(=O)OCCN(CC)c1cccc(C)c1
InChIInChI=1S/C14H19NO2/c1-4-14(16)17-10-9-15(5-2)13-8-6-7-12(3)11-13/h4,6-8,11H,1,5,9-10H2,2-3H3
InChIKeyMBGNVNWOZYXMEB-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.55
Rot. Bonds6

About 2-(N-ethyl-3-methylanilino)ethyl prop-2-enoate

2-(N-ethyl-3-methylanilino)ethyl prop-2-enoate (PubChem CID 137371297) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(N-ethyl-3-methylanilino)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(N-ethyl-3-methylanilino)ethyl prop-2-enoate
PubChem CID137371297
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-(N-ethyl-3-methylanilino)ethyl prop-2-enoate
SMILESC=CC(=O)OCCN(CC)c1cccc(C)c1
InChIInChI=1S/C14H19NO2/c1-4-14(16)17-10-9-15(5-2)13-8-6-7-12(3)11-13/h4,6-8,11H,1,5,9-10H2,2-3H3
InChIKeyMBGNVNWOZYXMEB-UHFFFAOYSA-N
XLogP2.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-methyl-N-(2-prop-2-enoyloxyethyl)anilino]ethyl prop-2-enoate
CID 59017027
ethyl (E)-4-(N-ethyl-3-methylanilino)but-2-enoate
CID 80549353
2-[N-ethyl-4-[(4-nitrosophenyl)diazenyl]anilino]ethyl prop-2-enoate
CID 87412965
N,N'-diethyl-N,N'-bis(3-methylphenyl)propane-1,3-diamine
CID 57172568
hydrazinyl 3-(N-ethyl-3-methylanilino)propanoate
CID 66337672
ethane;2-(N-ethyl-3-methylanilino)ethanol
CID 142945476
N,N'-diethyl-N,N'-bis(3-methylphenyl)hexane-1,6-diamine
CID 91719494
3-methyl-N,N-bis(2-prop-2-enoxyethyl)aniline
CID 139697285
diethyl-[2-[2-(N-ethyl-3-methylanilino)ethoxy]ethyl]-methylazanium
CID 153492918
2-[3-methyl-N-(2-sulfooxyethyl)anilino]ethyl hydrogen sulfate
CID 88528148
3-(N-ethyl-3-methylanilino)propanethioamide
CID 39160770
N-ethyl-3-methyl-N-[2-(2-methylphenoxy)ethyl]aniline
CID 54163306

Frequently Asked Questions

What is the IUPAC name of 2-(N-ethyl-3-methylanilino)ethyl prop-2-enoate?
The IUPAC name of 2-(N-ethyl-3-methylanilino)ethyl prop-2-enoate (CID 137371297) is 2-(N-ethyl-3-methylanilino)ethyl prop-2-enoate.
What is the SMILES notation for 2-(N-ethyl-3-methylanilino)ethyl prop-2-enoate?
The canonical SMILES for 2-(N-ethyl-3-methylanilino)ethyl prop-2-enoate is C=CC(=O)OCCN(CC)c1cccc(C)c1.
What is the InChIKey of 2-(N-ethyl-3-methylanilino)ethyl prop-2-enoate?
The InChIKey is MBGNVNWOZYXMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-4-14(16)17-10-9-15(5-2)13-8-6-7-12(3)11-13/h4,6-8,11H,1,5,9-10H2,2-3H3.
What are the key properties of 2-(N-ethyl-3-methylanilino)ethyl prop-2-enoate?
2-(N-ethyl-3-methylanilino)ethyl prop-2-enoate has a molecular weight of 233.31 g/mol, XLogP of 2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethyl-3-methylanilino)ethyl prop-2-enoate is sourced from PubChem (CID 137371297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).