2-[2-(4-methylphenyl)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate

C16H21NO4 — CID 58004900

IUPAC2-[2-(4-methylphenyl)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)OCCc1ccc(C)cc1
InChIInChI=1S/C16H21NO4/c1-12(2)15(18)20-11-9-17-16(19)21-10-8-14-6-4-13(3)5-7-14/h4-7H,1,8-11H2,2-3H3,(H,17,19)
InChIKeyOYZCGWVADBZPJP-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.38
Rot. Bonds7

About 2-[2-(4-methylphenyl)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate

2-[2-(4-methylphenyl)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate (PubChem CID 58004900) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[2-(4-methylphenyl)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[2-(4-methylphenyl)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
PubChem CID58004900
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name2-[2-(4-methylphenyl)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)OCCc1ccc(C)cc1
InChIInChI=1S/C16H21NO4/c1-12(2)15(18)20-11-9-17-16(19)21-10-8-14-6-4-13(3)5-7-14/h4-7H,1,8-11H2,2-3H3,(H,17,19)
InChIKeyOYZCGWVADBZPJP-UHFFFAOYSA-N
XLogP2.38
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

ethane;2-[2-(4-methylphenoxy)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 156747138
2-[2-[4-[2-[2-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]ethoxy]ethoxy]phenyl]ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 118331491
3-[2-[4-[2-[3-(2-methylprop-2-enoyloxy)propylcarbamoyloxy]ethoxy]phenyl]ethoxycarbonylamino]propyl 2-methylprop-2-enoate
CID 118331503
2-[3-(3-methylphenyl)propoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 130199618
4-[4-[2-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]ethyl]phenoxy]carbonylcyclohexane-1-carboxylic acid
CID 121291005
2-[(4-ethylphenoxy)carbonylamino]ethyl 2-methylprop-2-enoate
CID 143902345
2-(4-methylanilino)ethyl 2-methylprop-2-enoate
CID 59166790
2-(2-formyloxyethoxycarbonylamino)ethyl 2-methylprop-2-enoate
CID 89172590
2-[2-(propanoylamino)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 167060925
3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]propanoic acid
CID 88965929
3-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]propylcarbamic acid
CID 149304410
2-[2-[4-[2-[4-[2-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]ethoxy]phenyl]propan-2-yl]phenoxy]ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 59378635

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylphenyl)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[2-(4-methylphenyl)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate (CID 58004900) is 2-[2-(4-methylphenyl)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[2-(4-methylphenyl)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[2-(4-methylphenyl)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNC(=O)OCCc1ccc(C)cc1.
What is the InChIKey of 2-[2-(4-methylphenyl)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate?
The InChIKey is OYZCGWVADBZPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-12(2)15(18)20-11-9-17-16(19)21-10-8-14-6-4-13(3)5-7-14/h4-7H,1,8-11H2,2-3H3,(H,17,19).
What are the key properties of 2-[2-(4-methylphenyl)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate?
2-[2-(4-methylphenyl)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate has a molecular weight of 291.35 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylphenyl)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 58004900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).