1-[2,3-bis(methylcarbamoyl)phenyl]ethyl prop-2-enoate

C15H18N2O4 — CID 18934405

IUPAC1-[2,3-bis(methylcarbamoyl)phenyl]ethyl prop-2-enoate
SMILESC=CC(=O)OC(C)c1cccc(C(=O)NC)c1C(=O)NC
InChIInChI=1S/C15H18N2O4/c1-5-12(18)21-9(2)10-7-6-8-11(14(19)16-3)13(10)15(20)17-4/h5-9H,1H2,2-4H3,(H,16,19)(H,17,20)
InChIKeyDQLKANOAVFOFJE-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.20
Rot. Bonds5

About 1-[2,3-bis(methylcarbamoyl)phenyl]ethyl prop-2-enoate

1-[2,3-bis(methylcarbamoyl)phenyl]ethyl prop-2-enoate (PubChem CID 18934405) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 1-[2,3-bis(methylcarbamoyl)phenyl]ethyl prop-2-enoate.

Molecular Properties

Compound Name1-[2,3-bis(methylcarbamoyl)phenyl]ethyl prop-2-enoate
PubChem CID18934405
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name1-[2,3-bis(methylcarbamoyl)phenyl]ethyl prop-2-enoate
SMILESC=CC(=O)OC(C)c1cccc(C(=O)NC)c1C(=O)NC
InChIInChI=1S/C15H18N2O4/c1-5-12(18)21-9(2)10-7-6-8-11(14(19)16-3)13(10)15(20)17-4/h5-9H,1H2,2-4H3,(H,16,19)(H,17,20)
InChIKeyDQLKANOAVFOFJE-UHFFFAOYSA-N
XLogP1.20
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(methylamino)phenyl]ethyl prop-2-enoate
CID 70261279
1-phenylethyl prop-2-enoate
CID 175321764
1-(2-acetyloxyphenyl)ethyl prop-2-enoate
CID 175062364
3,4-bis(1-prop-2-enoyloxyethyl)phthalic acid
CID 18934233
1-[2,4-bis(phenylsulfanyl)phenyl]ethyl prop-2-enoate
CID 118070006
2-hydroxy-1-N-methyl-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 153307876
1-(7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-yl)ethyl prop-2-enoate
CID 163701901
2-(1-prop-2-enoyloxyethoxy)benzoic acid
CID 18934237
bis(1-prop-2-enoyloxypropyl) 3-(2-hydroxypropyl)benzene-1,2-dicarboxylate
CID 141450792
2-aminoethyl 2-methylprop-2-enoate;1-(2-hydroxyphenyl)ethyl prop-2-enoate
CID 66776977
1-[3-[(2S)-2-amino-1-hydroxypropyl]-2-prop-2-enoylphenyl]prop-2-en-1-one
CID 69477128
1-(2-hydroxyphenoxy)ethyl prop-2-enoate
CID 18934210

Frequently Asked Questions

What is the IUPAC name of 1-[2,3-bis(methylcarbamoyl)phenyl]ethyl prop-2-enoate?
The IUPAC name of 1-[2,3-bis(methylcarbamoyl)phenyl]ethyl prop-2-enoate (CID 18934405) is 1-[2,3-bis(methylcarbamoyl)phenyl]ethyl prop-2-enoate.
What is the SMILES notation for 1-[2,3-bis(methylcarbamoyl)phenyl]ethyl prop-2-enoate?
The canonical SMILES for 1-[2,3-bis(methylcarbamoyl)phenyl]ethyl prop-2-enoate is C=CC(=O)OC(C)c1cccc(C(=O)NC)c1C(=O)NC.
What is the InChIKey of 1-[2,3-bis(methylcarbamoyl)phenyl]ethyl prop-2-enoate?
The InChIKey is DQLKANOAVFOFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-5-12(18)21-9(2)10-7-6-8-11(14(19)16-3)13(10)15(20)17-4/h5-9H,1H2,2-4H3,(H,16,19)(H,17,20).
What are the key properties of 1-[2,3-bis(methylcarbamoyl)phenyl]ethyl prop-2-enoate?
1-[2,3-bis(methylcarbamoyl)phenyl]ethyl prop-2-enoate has a molecular weight of 290.32 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3-bis(methylcarbamoyl)phenyl]ethyl prop-2-enoate is sourced from PubChem (CID 18934405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).