2-[(3-methylphenyl)carbamoyloxy]ethyl 2-methylprop-2-enoate

C14H17NO4 — CID 164980144

IUPAC2-[(3-methylphenyl)carbamoyloxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOC(=O)Nc1cccc(C)c1
InChIInChI=1S/C14H17NO4/c1-10(2)13(16)18-7-8-19-14(17)15-12-6-4-5-11(3)9-12/h4-6,9H,1,7-8H2,2-3H3,(H,15,17)
InChIKeyOVRVXKSWILWGAC-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.66
Rot. Bonds5

About 2-[(3-methylphenyl)carbamoyloxy]ethyl 2-methylprop-2-enoate

2-[(3-methylphenyl)carbamoyloxy]ethyl 2-methylprop-2-enoate (PubChem CID 164980144) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-[(3-methylphenyl)carbamoyloxy]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[(3-methylphenyl)carbamoyloxy]ethyl 2-methylprop-2-enoate
PubChem CID164980144
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name2-[(3-methylphenyl)carbamoyloxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOC(=O)Nc1cccc(C)c1
InChIInChI=1S/C14H17NO4/c1-10(2)13(16)18-7-8-19-14(17)15-12-6-4-5-11(3)9-12/h4-6,9H,1,7-8H2,2-3H3,(H,15,17)
InChIKeyOVRVXKSWILWGAC-UHFFFAOYSA-N
XLogP2.66
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.66
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

2-[(3-methylphenyl)carbamoyloxy]ethyl N-(3-methylphenyl)carbamate
CID 176596945
2-(methylamino)ethyl N-(3-methylphenyl)carbamate
CID 79338222
2-(dimethylamino)ethyl N-(3-methylphenyl)carbamate
CID 44722441
2-[[3-(ethoxycarbonylamino)benzoyl]amino]ethyl 2-methylprop-2-enoate
CID 163975563
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;toluene
CID 163489883
2-[(4-ethylphenyl)carbamoyloxy]ethyl 2-methylprop-2-enoate
CID 155719005
2-[3-(3-methylphenyl)propoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 130199618
2-[[3-[2,2-bis[[2-methyl-3-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]phenyl]carbamoyloxymethyl]butoxycarbonylamino]-2-methylphenyl]carbamoyloxy]ethyl 2-methylprop-2-enoate
CID 126540939
2-methoxyethyl N-[3-[3-(3-methylphenyl)prop-2-enoylamino]phenyl]carbamate
CID 76870567
N-(3-methylphenyl)acetamide
CID 10843
(2-amino-2-ethylbutyl) N-(3-methylphenyl)carbamate
CID 79338375
ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylphenyl)carbamoyloxy]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[(3-methylphenyl)carbamoyloxy]ethyl 2-methylprop-2-enoate (CID 164980144) is 2-[(3-methylphenyl)carbamoyloxy]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[(3-methylphenyl)carbamoyloxy]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[(3-methylphenyl)carbamoyloxy]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOC(=O)Nc1cccc(C)c1.
What is the InChIKey of 2-[(3-methylphenyl)carbamoyloxy]ethyl 2-methylprop-2-enoate?
The InChIKey is OVRVXKSWILWGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-10(2)13(16)18-7-8-19-14(17)15-12-6-4-5-11(3)9-12/h4-6,9H,1,7-8H2,2-3H3,(H,15,17).
What are the key properties of 2-[(3-methylphenyl)carbamoyloxy]ethyl 2-methylprop-2-enoate?
2-[(3-methylphenyl)carbamoyloxy]ethyl 2-methylprop-2-enoate has a molecular weight of 263.29 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylphenyl)carbamoyloxy]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 164980144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).