2-[[3-(ethoxycarbonylamino)benzoyl]amino]ethyl 2-methylprop-2-enoate

C16H20N2O5 — CID 163975563

IUPAC2-[[3-(ethoxycarbonylamino)benzoyl]amino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)c1cccc(NC(=O)OCC)c1
InChIInChI=1S/C16H20N2O5/c1-4-22-16(21)18-13-7-5-6-12(10-13)14(19)17-8-9-23-15(20)11(2)3/h5-7,10H,2,4,8-9H2,1,3H3,(H,17,19)(H,18,21)
InChIKeySTUPZIWFWBPVFY-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.10
Rot. Bonds7

About 2-[[3-(ethoxycarbonylamino)benzoyl]amino]ethyl 2-methylprop-2-enoate

2-[[3-(ethoxycarbonylamino)benzoyl]amino]ethyl 2-methylprop-2-enoate (PubChem CID 163975563) has the molecular formula C16H20N2O5 and a molecular weight of 320.35 g/mol. Its IUPAC name is 2-[[3-(ethoxycarbonylamino)benzoyl]amino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[[3-(ethoxycarbonylamino)benzoyl]amino]ethyl 2-methylprop-2-enoate
PubChem CID163975563
Molecular FormulaC16H20N2O5
Molecular Weight320.35 g/mol
Exact Mass320.14
IUPAC Name2-[[3-(ethoxycarbonylamino)benzoyl]amino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)c1cccc(NC(=O)OCC)c1
InChIInChI=1S/C16H20N2O5/c1-4-22-16(21)18-13-7-5-6-12(10-13)14(19)17-8-9-23-15(20)11(2)3/h5-7,10H,2,4,8-9H2,1,3H3,(H,17,19)(H,18,21)
InChIKeySTUPZIWFWBPVFY-UHFFFAOYSA-N
XLogP2.10
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]ethyl 2-methylprop-2-enoate
CID 118056664
ethyl N-[3-(3-methoxypropylcarbamoyl)phenyl]carbamate
CID 29202825
ethyl N-[3-(pentylcarbamoyl)phenyl]carbamate
CID 17407696
2-[(3-methylphenyl)carbamoyloxy]ethyl 2-methylprop-2-enoate
CID 164980144
ethyl N-[3-[(2-fluorophenyl)methylcarbamoyl]phenyl]carbamate
CID 9375024
ethyl N-[3-[3-[methyl(methylsulfonyl)amino]propylcarbamoyl]phenyl]carbamate
CID 46450279
ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252
ethyl N-[3-[(4-chlorophenyl)carbamoyl]phenyl]carbamate
CID 26688111
2-[(3-bromobenzoyl)amino]ethyl N-(4-chlorophenyl)carbamate
CID 3253612
ethyl N-[3-[(4-phenylphenyl)carbamoyl]phenyl]carbamate
CID 46580788
ethyl N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]carbamate
CID 9206955
ethyl N-[3-[(5-fluoro-2-methylphenyl)carbamoyl]phenyl]carbamate
CID 17427553

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(ethoxycarbonylamino)benzoyl]amino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[[3-(ethoxycarbonylamino)benzoyl]amino]ethyl 2-methylprop-2-enoate (CID 163975563) is 2-[[3-(ethoxycarbonylamino)benzoyl]amino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[[3-(ethoxycarbonylamino)benzoyl]amino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[[3-(ethoxycarbonylamino)benzoyl]amino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNC(=O)c1cccc(NC(=O)OCC)c1.
What is the InChIKey of 2-[[3-(ethoxycarbonylamino)benzoyl]amino]ethyl 2-methylprop-2-enoate?
The InChIKey is STUPZIWFWBPVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5/c1-4-22-16(21)18-13-7-5-6-12(10-13)14(19)17-8-9-23-15(20)11(2)3/h5-7,10H,2,4,8-9H2,1,3H3,(H,17,19)(H,18,21).
What are the key properties of 2-[[3-(ethoxycarbonylamino)benzoyl]amino]ethyl 2-methylprop-2-enoate?
2-[[3-(ethoxycarbonylamino)benzoyl]amino]ethyl 2-methylprop-2-enoate has a molecular weight of 320.35 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(ethoxycarbonylamino)benzoyl]amino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 163975563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).