2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]ethyl 2-methylprop-2-enoate

C18H24N2O5 — CID 118056664

IUPAC2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)c1cccc(NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C18H24N2O5/c1-12(2)16(22)24-10-9-19-15(21)13-7-6-8-14(11-13)20-17(23)25-18(3,4)5/h6-8,11H,1,9-10H2,2-5H3,(H,19,21)(H,20,23)
InChIKeyGSKWGWXMEJYPAD-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.88
Rot. Bonds6

About 2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]ethyl 2-methylprop-2-enoate

2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]ethyl 2-methylprop-2-enoate (PubChem CID 118056664) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]ethyl 2-methylprop-2-enoate
PubChem CID118056664
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Name2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)c1cccc(NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C18H24N2O5/c1-12(2)16(22)24-10-9-19-15(21)13-7-6-8-14(11-13)20-17(23)25-18(3,4)5/h6-8,11H,1,9-10H2,2-5H3,(H,19,21)(H,20,23)
InChIKeyGSKWGWXMEJYPAD-UHFFFAOYSA-N
XLogP2.88
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.88
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-(ethoxycarbonylamino)benzoyl]amino]ethyl 2-methylprop-2-enoate
CID 163975563
tert-butyl N-[3-(3-methylbutylcarbamoyl)phenyl]carbamate
CID 27667153
tert-butyl N-[3-[2-(4-methoxyphenoxy)ethylcarbamoyl]phenyl]carbamate
CID 8935828
tert-butyl N-[3-[3-(3-methylphenoxy)propylcarbamoyl]phenyl]carbamate
CID 24533397
tert-butyl N-[3-(tert-butylcarbamoyl)phenyl]carbamate
CID 51204750
tert-butyl N-[3-[(4-methylphenyl)methylcarbamoyl]phenyl]carbamate
CID 7669388
tert-butyl N-[3-[[4-(methoxycarbonylamino)phenyl]carbamoyl]phenyl]carbamate
CID 55804923
tert-butyl N-[3-[(3-chlorophenyl)methylcarbamoyl]phenyl]carbamate
CID 9209931
tert-butyl N-[3-[[2-(cyanomethylamino)-2-oxoethyl]carbamoyl]phenyl]carbamate
CID 18421665
3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 6951350
2-methyl-2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]propanoic acid
CID 139196938
[3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]phenyl]carbamic acid
CID 18416506

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]ethyl 2-methylprop-2-enoate (CID 118056664) is 2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNC(=O)c1cccc(NC(=O)OC(C)(C)C)c1.
What is the InChIKey of 2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]ethyl 2-methylprop-2-enoate?
The InChIKey is GSKWGWXMEJYPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-12(2)16(22)24-10-9-19-15(21)13-7-6-8-14(11-13)20-17(23)25-18(3,4)5/h6-8,11H,1,9-10H2,2-5H3,(H,19,21)(H,20,23).
What are the key properties of 2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]ethyl 2-methylprop-2-enoate?
2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]ethyl 2-methylprop-2-enoate has a molecular weight of 348.40 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 118056664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).