methyl 2-[2-[(2-hydroxyethoxycarbonylamino)carbamoyl]anilino]-2-oxoacetate

C13H15N3O7 — CID 124928350

IUPACmethyl 2-[2-[(2-hydroxyethoxycarbonylamino)carbamoyl]anilino]-2-oxoacetate
SMILESCOC(=O)C(=O)Nc1ccccc1C(=O)NNC(=O)OCCO
InChIInChI=1S/C13H15N3O7/c1-22-12(20)11(19)14-9-5-3-2-4-8(9)10(18)15-16-13(21)23-7-6-17/h2-5,17H,6-7H2,1H3,(H,14,19)(H,15,18)(H,16,21)
InChIKeyYBMKUGORDLRUFS-UHFFFAOYSA-N
MW325.28 g/mol
LogP-0.84
Rot. Bonds4

About methyl 2-[2-[(2-hydroxyethoxycarbonylamino)carbamoyl]anilino]-2-oxoacetate

methyl 2-[2-[(2-hydroxyethoxycarbonylamino)carbamoyl]anilino]-2-oxoacetate (PubChem CID 124928350) has the molecular formula C13H15N3O7 and a molecular weight of 325.28 g/mol. Its IUPAC name is methyl 2-[2-[(2-hydroxyethoxycarbonylamino)carbamoyl]anilino]-2-oxoacetate.

Molecular Properties

Compound Namemethyl 2-[2-[(2-hydroxyethoxycarbonylamino)carbamoyl]anilino]-2-oxoacetate
PubChem CID124928350
Molecular FormulaC13H15N3O7
Molecular Weight325.28 g/mol
Exact Mass325.09
IUPAC Namemethyl 2-[2-[(2-hydroxyethoxycarbonylamino)carbamoyl]anilino]-2-oxoacetate
SMILESCOC(=O)C(=O)Nc1ccccc1C(=O)NNC(=O)OCCO
InChIInChI=1S/C13H15N3O7/c1-22-12(20)11(19)14-9-5-3-2-4-8(9)10(18)15-16-13(21)23-7-6-17/h2-5,17H,6-7H2,1H3,(H,14,19)(H,15,18)(H,16,21)
InChIKeyYBMKUGORDLRUFS-UHFFFAOYSA-N
XLogP-0.84
TPSA143.06 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.28
LogP ≤ 5-0.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methoxyethyl N-[[2-[(3-chloro-2-hydroxypropyl)amino]benzoyl]amino]carbamate
CID 168639683
2-hydroxyethyl N-[2-methyl-3-(methylcarbamoyl)phenyl]carbamate
CID 79346622
methyl 2-[2-(butoxycarbonylamino)phenyl]-2-oxoacetate
CID 70472077
ethyl 2-[2-(tert-butylcarbamoyl)anilino]-2-oxoacetate
CID 2991099
2-hydrazinylbenzohydrazide;bis(2-[2-(2-hydroxyethoxy)ethoxy]ethanol)
CID 69498053
methyl 2-[[2-(2-hydroxyethylamino)-2-oxoacetyl]amino]benzoate
CID 108512450
methyl 2-[2-(dimethylamino)anilino]-2-oxoacetate
CID 106760603
N'-(2-carbamoylphenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide
CID 108524308
2-hydroxyethyl N-(2,3-dimethylphenyl)carbamate
CID 79345225
methyl 2-[[2-(2-ethoxycarbonylanilino)-2-oxoacetyl]amino]benzoate
CID 108501747
benzyl N-[(2-methoxybenzoyl)amino]carbamate
CID 4935888
ethyl 2-[[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxoacetyl]amino]benzoate
CID 108501826

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(2-hydroxyethoxycarbonylamino)carbamoyl]anilino]-2-oxoacetate?
The IUPAC name of methyl 2-[2-[(2-hydroxyethoxycarbonylamino)carbamoyl]anilino]-2-oxoacetate (CID 124928350) is methyl 2-[2-[(2-hydroxyethoxycarbonylamino)carbamoyl]anilino]-2-oxoacetate.
What is the SMILES notation for methyl 2-[2-[(2-hydroxyethoxycarbonylamino)carbamoyl]anilino]-2-oxoacetate?
The canonical SMILES for methyl 2-[2-[(2-hydroxyethoxycarbonylamino)carbamoyl]anilino]-2-oxoacetate is COC(=O)C(=O)Nc1ccccc1C(=O)NNC(=O)OCCO.
What is the InChIKey of methyl 2-[2-[(2-hydroxyethoxycarbonylamino)carbamoyl]anilino]-2-oxoacetate?
The InChIKey is YBMKUGORDLRUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O7/c1-22-12(20)11(19)14-9-5-3-2-4-8(9)10(18)15-16-13(21)23-7-6-17/h2-5,17H,6-7H2,1H3,(H,14,19)(H,15,18)(H,16,21).
What are the key properties of methyl 2-[2-[(2-hydroxyethoxycarbonylamino)carbamoyl]anilino]-2-oxoacetate?
methyl 2-[2-[(2-hydroxyethoxycarbonylamino)carbamoyl]anilino]-2-oxoacetate has a molecular weight of 325.28 g/mol, XLogP of -0.84, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(2-hydroxyethoxycarbonylamino)carbamoyl]anilino]-2-oxoacetate is sourced from PubChem (CID 124928350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).