propyl N-[2-methyl-5-(propoxycarbonylamino)phenyl]carbamate

C15H22N2O4 — CID 4106166

IUPACpropyl N-[2-methyl-5-(propoxycarbonylamino)phenyl]carbamate
SMILESCCCOC(=O)Nc1ccc(C)c(NC(=O)OCCC)c1
InChIInChI=1S/C15H22N2O4/c1-4-8-20-14(18)16-12-7-6-11(3)13(10-12)17-15(19)21-9-5-2/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyAZOPMOSYNSRIOO-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.91
Rot. Bonds6

About propyl N-[2-methyl-5-(propoxycarbonylamino)phenyl]carbamate

propyl N-[2-methyl-5-(propoxycarbonylamino)phenyl]carbamate (PubChem CID 4106166) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is propyl N-[2-methyl-5-(propoxycarbonylamino)phenyl]carbamate.

Molecular Properties

Compound Namepropyl N-[2-methyl-5-(propoxycarbonylamino)phenyl]carbamate
PubChem CID4106166
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Namepropyl N-[2-methyl-5-(propoxycarbonylamino)phenyl]carbamate
SMILESCCCOC(=O)Nc1ccc(C)c(NC(=O)OCCC)c1
InChIInChI=1S/C15H22N2O4/c1-4-8-20-14(18)16-12-7-6-11(3)13(10-12)17-15(19)21-9-5-2/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyAZOPMOSYNSRIOO-UHFFFAOYSA-N
XLogP3.91
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propyl N-[2-methyl-5-(propoxycarbonylamino)phenyl]carbamate?
The IUPAC name of propyl N-[2-methyl-5-(propoxycarbonylamino)phenyl]carbamate (CID 4106166) is propyl N-[2-methyl-5-(propoxycarbonylamino)phenyl]carbamate.
What is the SMILES notation for propyl N-[2-methyl-5-(propoxycarbonylamino)phenyl]carbamate?
The canonical SMILES for propyl N-[2-methyl-5-(propoxycarbonylamino)phenyl]carbamate is CCCOC(=O)Nc1ccc(C)c(NC(=O)OCCC)c1.
What is the InChIKey of propyl N-[2-methyl-5-(propoxycarbonylamino)phenyl]carbamate?
The InChIKey is AZOPMOSYNSRIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-4-8-20-14(18)16-12-7-6-11(3)13(10-12)17-15(19)21-9-5-2/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of propyl N-[2-methyl-5-(propoxycarbonylamino)phenyl]carbamate?
propyl N-[2-methyl-5-(propoxycarbonylamino)phenyl]carbamate has a molecular weight of 294.35 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-[2-methyl-5-(propoxycarbonylamino)phenyl]carbamate is sourced from PubChem (CID 4106166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).