propan-2-yl N-phenyl-N-propan-2-ylcarbamate

C13H19NO2 — CID 71384721

IUPACpropan-2-yl N-phenyl-N-propan-2-ylcarbamate
SMILESCC(C)OC(=O)N(c1ccccc1)C(C)C
InChIInChI=1S/C13H19NO2/c1-10(2)14(13(15)16-11(3)4)12-8-6-5-7-9-12/h5-11H,1-4H3
InChIKeyLKEMAFHCXGWFJL-UHFFFAOYSA-N
MW221.30 g/mol
LogP3.45
Rot. Bonds3

About propan-2-yl N-phenyl-N-propan-2-ylcarbamate

propan-2-yl N-phenyl-N-propan-2-ylcarbamate (PubChem CID 71384721) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is propan-2-yl N-phenyl-N-propan-2-ylcarbamate.

Molecular Properties

Compound Namepropan-2-yl N-phenyl-N-propan-2-ylcarbamate
PubChem CID71384721
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Namepropan-2-yl N-phenyl-N-propan-2-ylcarbamate
SMILESCC(C)OC(=O)N(c1ccccc1)C(C)C
InChIInChI=1S/C13H19NO2/c1-10(2)14(13(15)16-11(3)4)12-8-6-5-7-9-12/h5-11H,1-4H3
InChIKeyLKEMAFHCXGWFJL-UHFFFAOYSA-N
XLogP3.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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

propyl N-phenyl-N-propan-2-ylcarbamate
CID 71384708
[(1S,2S)-1,2-diphenylhexyl] N-phenyl-N-propan-2-ylcarbamate
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(4-phenylphenyl)-propan-2-ylcarbamic acid
CID 118254837
3-hydroxy-1-phenyl-1-propan-2-ylurea
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propan-2-yl N-(2,6-difluorophenoxy)sulfonyl-N-phenylcarbamate
CID 142633406
[2-oxo-2-(N-propan-2-ylanilino)ethyl] ethanesulfonate
CID 54206436
[4-(diphenylcarbamoyloxy)-2,5-dimethylhexan-3-yl] N,N-diphenylcarbamate
CID 118271941
N-phenyl-2-(2-phenylethoxy)-N-propan-2-ylacetamide
CID 86777010
N'-phenyl-N,N'-di(propan-2-yl)propanediamide
CID 71028151
N-phenyl-N-propan-2-yl-2-pyridin-1-ium-1-ylacetamide
CID 3657439
N-[(1S)-1-cyclopropylethyl]-N-phenylacetamide
CID 6950629
(2S)-2-(N-acetylanilino)propanoic acid
CID 821173

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-phenyl-N-propan-2-ylcarbamate?
The IUPAC name of propan-2-yl N-phenyl-N-propan-2-ylcarbamate (CID 71384721) is propan-2-yl N-phenyl-N-propan-2-ylcarbamate.
What is the SMILES notation for propan-2-yl N-phenyl-N-propan-2-ylcarbamate?
The canonical SMILES for propan-2-yl N-phenyl-N-propan-2-ylcarbamate is CC(C)OC(=O)N(c1ccccc1)C(C)C.
What is the InChIKey of propan-2-yl N-phenyl-N-propan-2-ylcarbamate?
The InChIKey is LKEMAFHCXGWFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10(2)14(13(15)16-11(3)4)12-8-6-5-7-9-12/h5-11H,1-4H3.
What are the key properties of propan-2-yl N-phenyl-N-propan-2-ylcarbamate?
propan-2-yl N-phenyl-N-propan-2-ylcarbamate has a molecular weight of 221.30 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-phenyl-N-propan-2-ylcarbamate is sourced from PubChem (CID 71384721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).