2-(propan-2-yloxycarbonylamino)ethyl N-(3,4-dichlorophenyl)carbamate

C13H16Cl2N2O4 — CID 3115363

IUPAC2-(propan-2-yloxycarbonylamino)ethyl N-(3,4-dichlorophenyl)carbamate
SMILESCC(C)OC(=O)NCCOC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H16Cl2N2O4/c1-8(2)21-12(18)16-5-6-20-13(19)17-9-3-4-10(14)11(15)7-9/h3-4,7-8H,5-6H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyGTHDMYLVMAGDHP-UHFFFAOYSA-N
MW335.19 g/mol
LogP3.68
Rot. Bonds5

About 2-(propan-2-yloxycarbonylamino)ethyl N-(3,4-dichlorophenyl)carbamate

2-(propan-2-yloxycarbonylamino)ethyl N-(3,4-dichlorophenyl)carbamate (PubChem CID 3115363) has the molecular formula C13H16Cl2N2O4 and a molecular weight of 335.19 g/mol. Its IUPAC name is 2-(propan-2-yloxycarbonylamino)ethyl N-(3,4-dichlorophenyl)carbamate.

Molecular Properties

Compound Name2-(propan-2-yloxycarbonylamino)ethyl N-(3,4-dichlorophenyl)carbamate
PubChem CID3115363
Molecular FormulaC13H16Cl2N2O4
Molecular Weight335.19 g/mol
Exact Mass334.05
IUPAC Name2-(propan-2-yloxycarbonylamino)ethyl N-(3,4-dichlorophenyl)carbamate
SMILESCC(C)OC(=O)NCCOC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H16Cl2N2O4/c1-8(2)21-12(18)16-5-6-20-13(19)17-9-3-4-10(14)11(15)7-9/h3-4,7-8H,5-6H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyGTHDMYLVMAGDHP-UHFFFAOYSA-N
XLogP3.68
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 15969
CID 15969
CID 2728
CID 2728
CID 5926
CID 5926
CID 16712
CID 16712
CID 169545
CID 169545
CID 3115307
CID 3115307
CID 16520
CID 16520
CID 16188841
CID 16188841
CID 4022
CID 4022
CID 1562694
CID 1562694
CID 4612356
CID 4612356
CID 30049
CID 30049

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-yloxycarbonylamino)ethyl N-(3,4-dichlorophenyl)carbamate?
The IUPAC name of 2-(propan-2-yloxycarbonylamino)ethyl N-(3,4-dichlorophenyl)carbamate (CID 3115363) is 2-(propan-2-yloxycarbonylamino)ethyl N-(3,4-dichlorophenyl)carbamate.
What is the SMILES notation for 2-(propan-2-yloxycarbonylamino)ethyl N-(3,4-dichlorophenyl)carbamate?
The canonical SMILES for 2-(propan-2-yloxycarbonylamino)ethyl N-(3,4-dichlorophenyl)carbamate is CC(C)OC(=O)NCCOC(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(propan-2-yloxycarbonylamino)ethyl N-(3,4-dichlorophenyl)carbamate?
The InChIKey is GTHDMYLVMAGDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O4/c1-8(2)21-12(18)16-5-6-20-13(19)17-9-3-4-10(14)11(15)7-9/h3-4,7-8H,5-6H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of 2-(propan-2-yloxycarbonylamino)ethyl N-(3,4-dichlorophenyl)carbamate?
2-(propan-2-yloxycarbonylamino)ethyl N-(3,4-dichlorophenyl)carbamate has a molecular weight of 335.19 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-yloxycarbonylamino)ethyl N-(3,4-dichlorophenyl)carbamate is sourced from PubChem (CID 3115363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).