2-(propan-2-yloxycarbonylamino)ethyl N-(3-chlorophenyl)carbamate

C13H17ClN2O4 — CID 656183

IUPAC2-(propan-2-yloxycarbonylamino)ethyl N-(3-chlorophenyl)carbamate
SMILESCC(C)OC(=O)NCCOC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C13H17ClN2O4/c1-9(2)20-12(17)15-6-7-19-13(18)16-11-5-3-4-10(14)8-11/h3-5,8-9H,6-7H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyFHLOMVFBBXBFMS-UHFFFAOYSA-N
MW300.74 g/mol
LogP3.02
Rot. Bonds5

About 2-(propan-2-yloxycarbonylamino)ethyl N-(3-chlorophenyl)carbamate

2-(propan-2-yloxycarbonylamino)ethyl N-(3-chlorophenyl)carbamate (PubChem CID 656183) has the molecular formula C13H17ClN2O4 and a molecular weight of 300.74 g/mol. Its IUPAC name is 2-(propan-2-yloxycarbonylamino)ethyl N-(3-chlorophenyl)carbamate.

Molecular Properties

Compound Name2-(propan-2-yloxycarbonylamino)ethyl N-(3-chlorophenyl)carbamate
PubChem CID656183
Molecular FormulaC13H17ClN2O4
Molecular Weight300.74 g/mol
Exact Mass300.09
IUPAC Name2-(propan-2-yloxycarbonylamino)ethyl N-(3-chlorophenyl)carbamate
SMILESCC(C)OC(=O)NCCOC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C13H17ClN2O4/c1-9(2)20-12(17)15-6-7-19-13(18)16-11-5-3-4-10(14)8-11/h3-5,8-9H,6-7H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyFHLOMVFBBXBFMS-UHFFFAOYSA-N
XLogP3.02
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.74
LogP ≤ 53.02
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

Chlorbufam
CID 16073
Chlorpropham
CID 2728
4-((((3-Chlorophenyl)amino)carbonyl)oxy)-N,N,N-trimethyl-2-butyn-1-aminium chloride (1:1)
CID 5926
Isopropyl N-4-chlorophenylcarbamate
CID 16712
Carbamic acid, N-(4-chlorophenyl)-, ethyl ester
CID 17496
Carbanilic acid, m-chloro-, allyl ester
CID 32780
Methyl N-(3-chlorophenyl)carbamate
CID 16529
Ethyl 2-[(3-chlorophenyl)amino]acetate
CID 302656
2-(propan-2-yloxycarbonylamino)ethyl N-(4-chlorophenyl)carbamate
CID 3115307
Isopropyl 3,4-dichlorocarbanilate
CID 16520
Ethyl (3-chlorophenyl)carbamate
CID 247900
2-[(Isopropoxycarbonyl)amino]ethyl 2-chlorophenylcarbamate
CID 16188841

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-yloxycarbonylamino)ethyl N-(3-chlorophenyl)carbamate?
The IUPAC name of 2-(propan-2-yloxycarbonylamino)ethyl N-(3-chlorophenyl)carbamate (CID 656183) is 2-(propan-2-yloxycarbonylamino)ethyl N-(3-chlorophenyl)carbamate.
What is the SMILES notation for 2-(propan-2-yloxycarbonylamino)ethyl N-(3-chlorophenyl)carbamate?
The canonical SMILES for 2-(propan-2-yloxycarbonylamino)ethyl N-(3-chlorophenyl)carbamate is CC(C)OC(=O)NCCOC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 2-(propan-2-yloxycarbonylamino)ethyl N-(3-chlorophenyl)carbamate?
The InChIKey is FHLOMVFBBXBFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O4/c1-9(2)20-12(17)15-6-7-19-13(18)16-11-5-3-4-10(14)8-11/h3-5,8-9H,6-7H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of 2-(propan-2-yloxycarbonylamino)ethyl N-(3-chlorophenyl)carbamate?
2-(propan-2-yloxycarbonylamino)ethyl N-(3-chlorophenyl)carbamate has a molecular weight of 300.74 g/mol, XLogP of 3.02, 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-chlorophenyl)carbamate is sourced from PubChem (CID 656183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).