propan-2-yl 2-[2-[(4-methoxyphenyl)carbamoyloxy]ethylamino]-2-oxoacetate

C15H20N2O6 — CID 4268048

IUPACpropan-2-yl 2-[2-[(4-methoxyphenyl)carbamoyloxy]ethylamino]-2-oxoacetate
SMILESCOc1ccc(NC(=O)OCCNC(=O)C(=O)OC(C)C)cc1
InChIInChI=1S/C15H20N2O6/c1-10(2)23-14(19)13(18)16-8-9-22-15(20)17-11-4-6-12(21-3)7-5-11/h4-7,10H,8-9H2,1-3H3,(H,16,18)(H,17,20)
InChIKeyZPTZGSFSQGUWNS-UHFFFAOYSA-N
MW324.33 g/mol
LogP1.31
Rot. Bonds6

About propan-2-yl 2-[2-[(4-methoxyphenyl)carbamoyloxy]ethylamino]-2-oxoacetate

propan-2-yl 2-[2-[(4-methoxyphenyl)carbamoyloxy]ethylamino]-2-oxoacetate (PubChem CID 4268048) has the molecular formula C15H20N2O6 and a molecular weight of 324.33 g/mol. Its IUPAC name is propan-2-yl 2-[2-[(4-methoxyphenyl)carbamoyloxy]ethylamino]-2-oxoacetate.

Molecular Properties

Compound Namepropan-2-yl 2-[2-[(4-methoxyphenyl)carbamoyloxy]ethylamino]-2-oxoacetate
PubChem CID4268048
Molecular FormulaC15H20N2O6
Molecular Weight324.33 g/mol
Exact Mass324.13
IUPAC Namepropan-2-yl 2-[2-[(4-methoxyphenyl)carbamoyloxy]ethylamino]-2-oxoacetate
SMILESCOc1ccc(NC(=O)OCCNC(=O)C(=O)OC(C)C)cc1
InChIInChI=1S/C15H20N2O6/c1-10(2)23-14(19)13(18)16-8-9-22-15(20)17-11-4-6-12(21-3)7-5-11/h4-7,10H,8-9H2,1-3H3,(H,16,18)(H,17,20)
InChIKeyZPTZGSFSQGUWNS-UHFFFAOYSA-N
XLogP1.31
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(propan-2-yloxycarbonylamino)ethyl N-(4-chlorophenyl)carbamate
CID 3115307
2-chloroethyl N-(4-methoxyphenyl)carbamate
CID 4190237
[2,3-dihydroxy-4-[(4-methoxyphenyl)carbamoyloxy]butyl] N-(4-methoxyphenyl)carbamate
CID 122366886
ethyl 4-[2-[(2-ethoxy-2-oxoacetyl)amino]ethoxycarbonylamino]benzoate
CID 5025785
2,3-dimethylpentyl N-(4-methoxyphenyl)carbamate
CID 155404047
hexadecyl N-(4-methoxyphenyl)carbamate
CID 46229876
2,2,3-trimethylbutyl N-(4-methoxyphenyl)carbamate
CID 59019482
3-phenylpropyl N-(4-methoxyphenyl)carbamate
CID 102129676
1-(4-methoxyphenyl)-3-(3-methylbutyl)urea
CID 18884814
[4-(2-methylpropoxycarbonylamino)phenyl] propan-2-yl carbonate
CID 150585771
1-(4-methoxyphenyl)-3-[2-(4-propan-2-ylphenoxy)ethyl]urea
CID 112972614
N'-(4-tert-butylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide
CID 108529800

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[2-[(4-methoxyphenyl)carbamoyloxy]ethylamino]-2-oxoacetate?
The IUPAC name of propan-2-yl 2-[2-[(4-methoxyphenyl)carbamoyloxy]ethylamino]-2-oxoacetate (CID 4268048) is propan-2-yl 2-[2-[(4-methoxyphenyl)carbamoyloxy]ethylamino]-2-oxoacetate.
What is the SMILES notation for propan-2-yl 2-[2-[(4-methoxyphenyl)carbamoyloxy]ethylamino]-2-oxoacetate?
The canonical SMILES for propan-2-yl 2-[2-[(4-methoxyphenyl)carbamoyloxy]ethylamino]-2-oxoacetate is COc1ccc(NC(=O)OCCNC(=O)C(=O)OC(C)C)cc1.
What is the InChIKey of propan-2-yl 2-[2-[(4-methoxyphenyl)carbamoyloxy]ethylamino]-2-oxoacetate?
The InChIKey is ZPTZGSFSQGUWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O6/c1-10(2)23-14(19)13(18)16-8-9-22-15(20)17-11-4-6-12(21-3)7-5-11/h4-7,10H,8-9H2,1-3H3,(H,16,18)(H,17,20).
What are the key properties of propan-2-yl 2-[2-[(4-methoxyphenyl)carbamoyloxy]ethylamino]-2-oxoacetate?
propan-2-yl 2-[2-[(4-methoxyphenyl)carbamoyloxy]ethylamino]-2-oxoacetate has a molecular weight of 324.33 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[2-[(4-methoxyphenyl)carbamoyloxy]ethylamino]-2-oxoacetate is sourced from PubChem (CID 4268048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).