propyl N-(1-phenylpropan-2-yl)carbamate

C13H19NO2 — CID 6420535

IUPACpropyl N-(1-phenylpropan-2-yl)carbamate
SMILESCCCOC(=O)NC(C)Cc1ccccc1
InChIInChI=1S/C13H19NO2/c1-3-9-16-13(15)14-11(2)10-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3,(H,14,15)
InChIKeySFWKZOLVTWGRFW-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.75
Rot. Bonds5

About propyl N-(1-phenylpropan-2-yl)carbamate

propyl N-(1-phenylpropan-2-yl)carbamate (PubChem CID 6420535) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is propyl N-(1-phenylpropan-2-yl)carbamate.

Molecular Properties

Compound Namepropyl N-(1-phenylpropan-2-yl)carbamate
PubChem CID6420535
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Namepropyl N-(1-phenylpropan-2-yl)carbamate
SMILESCCCOC(=O)NC(C)Cc1ccccc1
InChIInChI=1S/C13H19NO2/c1-3-9-16-13(15)14-11(2)10-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3,(H,14,15)
InChIKeySFWKZOLVTWGRFW-UHFFFAOYSA-N
XLogP2.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of propyl N-(1-phenylpropan-2-yl)carbamate?
The IUPAC name of propyl N-(1-phenylpropan-2-yl)carbamate (CID 6420535) is propyl N-(1-phenylpropan-2-yl)carbamate.
What is the SMILES notation for propyl N-(1-phenylpropan-2-yl)carbamate?
The canonical SMILES for propyl N-(1-phenylpropan-2-yl)carbamate is CCCOC(=O)NC(C)Cc1ccccc1.
What is the InChIKey of propyl N-(1-phenylpropan-2-yl)carbamate?
The InChIKey is SFWKZOLVTWGRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-9-16-13(15)14-11(2)10-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3,(H,14,15).
What are the key properties of propyl N-(1-phenylpropan-2-yl)carbamate?
propyl N-(1-phenylpropan-2-yl)carbamate has a molecular weight of 221.30 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-(1-phenylpropan-2-yl)carbamate is sourced from PubChem (CID 6420535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).