propyl N-[2,2,4-trimethyl-6-(propoxycarbonylamino)hexyl]carbamate

C17H34N2O4 — CID 20676494

IUPACpropyl N-[2,2,4-trimethyl-6-(propoxycarbonylamino)hexyl]carbamate
SMILESCCCOC(=O)NCCC(C)CC(C)(C)CNC(=O)OCCC
InChIInChI=1S/C17H34N2O4/c1-6-10-22-15(20)18-9-8-14(3)12-17(4,5)13-19-16(21)23-11-7-2/h14H,6-13H2,1-5H3,(H,18,20)(H,19,21)
InChIKeyAWZJFSOVISWUNC-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.70
Rot. Bonds11

About propyl N-[2,2,4-trimethyl-6-(propoxycarbonylamino)hexyl]carbamate

propyl N-[2,2,4-trimethyl-6-(propoxycarbonylamino)hexyl]carbamate (PubChem CID 20676494) has the molecular formula C17H34N2O4 and a molecular weight of 330.47 g/mol. Its IUPAC name is propyl N-[2,2,4-trimethyl-6-(propoxycarbonylamino)hexyl]carbamate.

Molecular Properties

Compound Namepropyl N-[2,2,4-trimethyl-6-(propoxycarbonylamino)hexyl]carbamate
PubChem CID20676494
Molecular FormulaC17H34N2O4
Molecular Weight330.47 g/mol
Exact Mass330.25
IUPAC Namepropyl N-[2,2,4-trimethyl-6-(propoxycarbonylamino)hexyl]carbamate
SMILESCCCOC(=O)NCCC(C)CC(C)(C)CNC(=O)OCCC
InChIInChI=1S/C17H34N2O4/c1-6-10-22-15(20)18-9-8-14(3)12-17(4,5)13-19-16(21)23-11-7-2/h14H,6-13H2,1-5H3,(H,18,20)(H,19,21)
InChIKeyAWZJFSOVISWUNC-UHFFFAOYSA-N
XLogP3.70
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propyl N-[2,2,4-trimethyl-6-(propoxycarbonylamino)hexyl]carbamate?
The IUPAC name of propyl N-[2,2,4-trimethyl-6-(propoxycarbonylamino)hexyl]carbamate (CID 20676494) is propyl N-[2,2,4-trimethyl-6-(propoxycarbonylamino)hexyl]carbamate.
What is the SMILES notation for propyl N-[2,2,4-trimethyl-6-(propoxycarbonylamino)hexyl]carbamate?
The canonical SMILES for propyl N-[2,2,4-trimethyl-6-(propoxycarbonylamino)hexyl]carbamate is CCCOC(=O)NCCC(C)CC(C)(C)CNC(=O)OCCC.
What is the InChIKey of propyl N-[2,2,4-trimethyl-6-(propoxycarbonylamino)hexyl]carbamate?
The InChIKey is AWZJFSOVISWUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O4/c1-6-10-22-15(20)18-9-8-14(3)12-17(4,5)13-19-16(21)23-11-7-2/h14H,6-13H2,1-5H3,(H,18,20)(H,19,21).
What are the key properties of propyl N-[2,2,4-trimethyl-6-(propoxycarbonylamino)hexyl]carbamate?
propyl N-[2,2,4-trimethyl-6-(propoxycarbonylamino)hexyl]carbamate has a molecular weight of 330.47 g/mol, XLogP of 3.70, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-[2,2,4-trimethyl-6-(propoxycarbonylamino)hexyl]carbamate is sourced from PubChem (CID 20676494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).