propyl N-phenyl-N-propan-2-ylcarbamate

C13H19NO2 — CID 71384708

IUPACpropyl N-phenyl-N-propan-2-ylcarbamate
SMILESCCCOC(=O)N(c1ccccc1)C(C)C
InChIInChI=1S/C13H19NO2/c1-4-10-16-13(15)14(11(2)3)12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3
InChIKeyFJRHLZVUFAMYSM-UHFFFAOYSA-N
MW221.30 g/mol
LogP3.45
Rot. Bonds4

About propyl N-phenyl-N-propan-2-ylcarbamate

propyl N-phenyl-N-propan-2-ylcarbamate (PubChem CID 71384708) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is propyl N-phenyl-N-propan-2-ylcarbamate.

Molecular Properties

Compound Namepropyl N-phenyl-N-propan-2-ylcarbamate
PubChem CID71384708
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Namepropyl N-phenyl-N-propan-2-ylcarbamate
SMILESCCCOC(=O)N(c1ccccc1)C(C)C
InChIInChI=1S/C13H19NO2/c1-4-10-16-13(15)14(11(2)3)12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3
InChIKeyFJRHLZVUFAMYSM-UHFFFAOYSA-N
XLogP3.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(N-carboxyanilino)-(N-propoxycarbonylanilino)methyl]-phenylcarbamic acid
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propan-2-yl N-phenyl-N-propan-2-ylcarbamate
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ethyl N-(4-fluorophenyl)-N-propan-2-ylcarbamate
CID 117061413
3-hydroxy-1-phenyl-1-propan-2-ylurea
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[(1S,2S)-1,2-diphenylhexyl] N-phenyl-N-propan-2-ylcarbamate
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propyl 2-benzamidopropanoate
CID 71628004
propyl (2R)-2-phenylpropanoate
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[2-oxo-2-(N-propan-2-ylanilino)ethyl] ethanesulfonate
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1-phenyl-2-propoxypropan-1-one
CID 43801137
N-phenyl-2-(2-phenylethoxy)-N-propan-2-ylacetamide
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Frequently Asked Questions

What is the IUPAC name of propyl N-phenyl-N-propan-2-ylcarbamate?
The IUPAC name of propyl N-phenyl-N-propan-2-ylcarbamate (CID 71384708) is propyl N-phenyl-N-propan-2-ylcarbamate.
What is the SMILES notation for propyl N-phenyl-N-propan-2-ylcarbamate?
The canonical SMILES for propyl N-phenyl-N-propan-2-ylcarbamate is CCCOC(=O)N(c1ccccc1)C(C)C.
What is the InChIKey of propyl N-phenyl-N-propan-2-ylcarbamate?
The InChIKey is FJRHLZVUFAMYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-4-10-16-13(15)14(11(2)3)12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3.
What are the key properties of propyl N-phenyl-N-propan-2-ylcarbamate?
propyl N-phenyl-N-propan-2-ylcarbamate has a molecular weight of 221.30 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-phenyl-N-propan-2-ylcarbamate is sourced from PubChem (CID 71384708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).