2-[4-methyl-N-(2-prop-2-enoyloxyethyl)anilino]ethyl prop-2-enoate

C17H21NO4 — CID 59017027

IUPAC2-[4-methyl-N-(2-prop-2-enoyloxyethyl)anilino]ethyl prop-2-enoate
SMILESC=CC(=O)OCCN(CCOC(=O)C=C)c1ccc(C)cc1
InChIInChI=1S/C17H21NO4/c1-4-16(19)21-12-10-18(11-13-22-17(20)5-2)15-8-6-14(3)7-9-15/h4-9H,1-2,10-13H2,3H3
InChIKeySMCYXGQPVLVHQK-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.26
Rot. Bonds9

About 2-[4-methyl-N-(2-prop-2-enoyloxyethyl)anilino]ethyl prop-2-enoate

2-[4-methyl-N-(2-prop-2-enoyloxyethyl)anilino]ethyl prop-2-enoate (PubChem CID 59017027) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-[4-methyl-N-(2-prop-2-enoyloxyethyl)anilino]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[4-methyl-N-(2-prop-2-enoyloxyethyl)anilino]ethyl prop-2-enoate
PubChem CID59017027
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Name2-[4-methyl-N-(2-prop-2-enoyloxyethyl)anilino]ethyl prop-2-enoate
SMILESC=CC(=O)OCCN(CCOC(=O)C=C)c1ccc(C)cc1
InChIInChI=1S/C17H21NO4/c1-4-16(19)21-12-10-18(11-13-22-17(20)5-2)15-8-6-14(3)7-9-15/h4-9H,1-2,10-13H2,3H3
InChIKeySMCYXGQPVLVHQK-UHFFFAOYSA-N
XLogP2.26
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[N-(2-carbamoyloxyethyl)-4-methylanilino]ethyl carbamate
CID 29550
2-(N-ethyl-3-methylanilino)ethyl prop-2-enoate
CID 137371297
2-[N-[2-(2-iodopropanoyloxy)ethyl]-4-methylanilino]ethyl 2-iodopropanoate
CID 162508887
2-[N-ethyl-4-[(4-nitrosophenyl)diazenyl]anilino]ethyl prop-2-enoate
CID 87412965
2-[4-[bis(4-methylbenzoyl)amino]phenyl]ethyl prop-2-enoate
CID 22374556
2-cyanoethyl prop-2-enoate;1,4-xylene
CID 67852962
2-[4-(diethylamino)phenyl]ethyl prop-2-enoate
CID 68773183
2-(4-methylanilino)ethyl prop-2-enoate
CID 155280082
ethyl 3-[4-[2-[4-[bis(2-prop-2-enoyloxyethyl)amino]phenyl]ethynyl]phenyl]-2-cyanoprop-2-enoate
CID 76628892
3-[3-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethyl]-5-(3-prop-2-enoyloxypropyl)phenyl]propyl prop-2-enoate
CID 58876614
2-[N-(2-hydroxyethyl)-4-[[4-(prop-2-enoylamino)phenyl]diazenyl]anilino]ethyl prop-2-enoate
CID 130465056
2-[bis(ethenyl)amino]ethyl prop-2-enoate
CID 87899384

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-N-(2-prop-2-enoyloxyethyl)anilino]ethyl prop-2-enoate?
The IUPAC name of 2-[4-methyl-N-(2-prop-2-enoyloxyethyl)anilino]ethyl prop-2-enoate (CID 59017027) is 2-[4-methyl-N-(2-prop-2-enoyloxyethyl)anilino]ethyl prop-2-enoate.
What is the SMILES notation for 2-[4-methyl-N-(2-prop-2-enoyloxyethyl)anilino]ethyl prop-2-enoate?
The canonical SMILES for 2-[4-methyl-N-(2-prop-2-enoyloxyethyl)anilino]ethyl prop-2-enoate is C=CC(=O)OCCN(CCOC(=O)C=C)c1ccc(C)cc1.
What is the InChIKey of 2-[4-methyl-N-(2-prop-2-enoyloxyethyl)anilino]ethyl prop-2-enoate?
The InChIKey is SMCYXGQPVLVHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c1-4-16(19)21-12-10-18(11-13-22-17(20)5-2)15-8-6-14(3)7-9-15/h4-9H,1-2,10-13H2,3H3.
What are the key properties of 2-[4-methyl-N-(2-prop-2-enoyloxyethyl)anilino]ethyl prop-2-enoate?
2-[4-methyl-N-(2-prop-2-enoyloxyethyl)anilino]ethyl prop-2-enoate has a molecular weight of 303.36 g/mol, XLogP of 2.26, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-N-(2-prop-2-enoyloxyethyl)anilino]ethyl prop-2-enoate is sourced from PubChem (CID 59017027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).