2-(2-methylpropoxycarbonylamino)butyl N-(2,3-dimethylphenyl)carbamate

C18H28N2O4 — CID 2971605

IUPAC2-(2-methylpropoxycarbonylamino)butyl N-(2,3-dimethylphenyl)carbamate
SMILESCCC(COC(=O)Nc1cccc(C)c1C)NC(=O)OCC(C)C
InChIInChI=1S/C18H28N2O4/c1-6-15(19-17(21)23-10-12(2)3)11-24-18(22)20-16-9-7-8-13(4)14(16)5/h7-9,12,15H,6,10-11H2,1-5H3,(H,19,21)(H,20,22)
InChIKeyFZOQNKPLWGEAQZ-UHFFFAOYSA-N
MW336.43 g/mol
LogP4.01
Rot. Bonds7

About 2-(2-methylpropoxycarbonylamino)butyl N-(2,3-dimethylphenyl)carbamate

2-(2-methylpropoxycarbonylamino)butyl N-(2,3-dimethylphenyl)carbamate (PubChem CID 2971605) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is 2-(2-methylpropoxycarbonylamino)butyl N-(2,3-dimethylphenyl)carbamate.

Molecular Properties

Compound Name2-(2-methylpropoxycarbonylamino)butyl N-(2,3-dimethylphenyl)carbamate
PubChem CID2971605
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Name2-(2-methylpropoxycarbonylamino)butyl N-(2,3-dimethylphenyl)carbamate
SMILESCCC(COC(=O)Nc1cccc(C)c1C)NC(=O)OCC(C)C
InChIInChI=1S/C18H28N2O4/c1-6-15(19-17(21)23-10-12(2)3)11-24-18(22)20-16-9-7-8-13(4)14(16)5/h7-9,12,15H,6,10-11H2,1-5H3,(H,19,21)(H,20,22)
InChIKeyFZOQNKPLWGEAQZ-UHFFFAOYSA-N
XLogP4.01
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropoxycarbonylamino)butyl N-(2,3-dimethylphenyl)carbamate?
The IUPAC name of 2-(2-methylpropoxycarbonylamino)butyl N-(2,3-dimethylphenyl)carbamate (CID 2971605) is 2-(2-methylpropoxycarbonylamino)butyl N-(2,3-dimethylphenyl)carbamate.
What is the SMILES notation for 2-(2-methylpropoxycarbonylamino)butyl N-(2,3-dimethylphenyl)carbamate?
The canonical SMILES for 2-(2-methylpropoxycarbonylamino)butyl N-(2,3-dimethylphenyl)carbamate is CCC(COC(=O)Nc1cccc(C)c1C)NC(=O)OCC(C)C.
What is the InChIKey of 2-(2-methylpropoxycarbonylamino)butyl N-(2,3-dimethylphenyl)carbamate?
The InChIKey is FZOQNKPLWGEAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-6-15(19-17(21)23-10-12(2)3)11-24-18(22)20-16-9-7-8-13(4)14(16)5/h7-9,12,15H,6,10-11H2,1-5H3,(H,19,21)(H,20,22).
What are the key properties of 2-(2-methylpropoxycarbonylamino)butyl N-(2,3-dimethylphenyl)carbamate?
2-(2-methylpropoxycarbonylamino)butyl N-(2,3-dimethylphenyl)carbamate has a molecular weight of 336.43 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropoxycarbonylamino)butyl N-(2,3-dimethylphenyl)carbamate is sourced from PubChem (CID 2971605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).