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

C15H20Cl2N2O4 — CID 3115356

IUPAC2-(propan-2-yloxycarbonylamino)butyl N-(3,4-dichlorophenyl)carbamate
SMILESCCC(COC(=O)Nc1ccc(Cl)c(Cl)c1)NC(=O)OC(C)C
InChIInChI=1S/C15H20Cl2N2O4/c1-4-10(18-15(21)23-9(2)3)8-22-14(20)19-11-5-6-12(16)13(17)7-11/h5-7,9-10H,4,8H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyGYAFVFAGJZOFGN-UHFFFAOYSA-N
MW363.24 g/mol
LogP4.46
Rot. Bonds6

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

2-(propan-2-yloxycarbonylamino)butyl N-(3,4-dichlorophenyl)carbamate (PubChem CID 3115356) has the molecular formula C15H20Cl2N2O4 and a molecular weight of 363.24 g/mol. Its IUPAC name is 2-(propan-2-yloxycarbonylamino)butyl N-(3,4-dichlorophenyl)carbamate.

Molecular Properties

Compound Name2-(propan-2-yloxycarbonylamino)butyl N-(3,4-dichlorophenyl)carbamate
PubChem CID3115356
Molecular FormulaC15H20Cl2N2O4
Molecular Weight363.24 g/mol
Exact Mass362.08
IUPAC Name2-(propan-2-yloxycarbonylamino)butyl N-(3,4-dichlorophenyl)carbamate
SMILESCCC(COC(=O)Nc1ccc(Cl)c(Cl)c1)NC(=O)OC(C)C
InChIInChI=1S/C15H20Cl2N2O4/c1-4-10(18-15(21)23-9(2)3)8-22-14(20)19-11-5-6-12(16)13(17)7-11/h5-7,9-10H,4,8H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyGYAFVFAGJZOFGN-UHFFFAOYSA-N
XLogP4.46
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.24
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-yloxycarbonylamino)butyl N-(3,4-dichlorophenyl)carbamate?
The IUPAC name of 2-(propan-2-yloxycarbonylamino)butyl N-(3,4-dichlorophenyl)carbamate (CID 3115356) is 2-(propan-2-yloxycarbonylamino)butyl N-(3,4-dichlorophenyl)carbamate.
What is the SMILES notation for 2-(propan-2-yloxycarbonylamino)butyl N-(3,4-dichlorophenyl)carbamate?
The canonical SMILES for 2-(propan-2-yloxycarbonylamino)butyl N-(3,4-dichlorophenyl)carbamate is CCC(COC(=O)Nc1ccc(Cl)c(Cl)c1)NC(=O)OC(C)C.
What is the InChIKey of 2-(propan-2-yloxycarbonylamino)butyl N-(3,4-dichlorophenyl)carbamate?
The InChIKey is GYAFVFAGJZOFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O4/c1-4-10(18-15(21)23-9(2)3)8-22-14(20)19-11-5-6-12(16)13(17)7-11/h5-7,9-10H,4,8H2,1-3H3,(H,18,21)(H,19,20).
What are the key properties of 2-(propan-2-yloxycarbonylamino)butyl N-(3,4-dichlorophenyl)carbamate?
2-(propan-2-yloxycarbonylamino)butyl N-(3,4-dichlorophenyl)carbamate has a molecular weight of 363.24 g/mol, XLogP of 4.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-yloxycarbonylamino)butyl N-(3,4-dichlorophenyl)carbamate is sourced from PubChem (CID 3115356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).