propan-2-yl N-[2-(3-ethenylphenyl)propan-2-yl]carbamate

C15H21NO2 — CID 141340360

IUPACpropan-2-yl N-[2-(3-ethenylphenyl)propan-2-yl]carbamate
SMILESC=Cc1cccc(C(C)(C)NC(=O)OC(C)C)c1
InChIInChI=1S/C15H21NO2/c1-6-12-8-7-9-13(10-12)15(4,5)16-14(17)18-11(2)3/h6-11H,1H2,2-5H3,(H,16,17)
InChIKeyRIHQNZMRYLULIC-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.70
Rot. Bonds4

About propan-2-yl N-[2-(3-ethenylphenyl)propan-2-yl]carbamate

propan-2-yl N-[2-(3-ethenylphenyl)propan-2-yl]carbamate (PubChem CID 141340360) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is propan-2-yl N-[2-(3-ethenylphenyl)propan-2-yl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[2-(3-ethenylphenyl)propan-2-yl]carbamate
PubChem CID141340360
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Namepropan-2-yl N-[2-(3-ethenylphenyl)propan-2-yl]carbamate
SMILESC=Cc1cccc(C(C)(C)NC(=O)OC(C)C)c1
InChIInChI=1S/C15H21NO2/c1-6-12-8-7-9-13(10-12)15(4,5)16-14(17)18-11(2)3/h6-11H,1H2,2-5H3,(H,16,17)
InChIKeyRIHQNZMRYLULIC-UHFFFAOYSA-N
XLogP3.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[3-[2-(1-prop-2-enoyloxybutan-2-yloxycarbonylamino)propan-2-yl]phenyl]propan-2-ylcarbamoyloxy]butyl prop-2-enoate
CID 122597571
butan-2-yl N-[2-(3-methylphenyl)propan-2-yl]carbamate
CID 20658639
2-[2-[3-[2-[1-(2-methylprop-2-enoyloxy)butan-2-yloxycarbonylamino]propan-2-yl]phenyl]propan-2-ylcarbamoyloxy]butyl 2-methylprop-2-enoate
CID 122597647
[3-prop-2-enoyloxy-2-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxy]propyl] prop-2-enoate
CID 15734519
4-[2-[3-[2-(2-prop-2-enoyloxyethoxycarbonylamino)propan-2-yl]phenyl]propan-2-ylcarbamoyloxy]butyl prop-2-enoate
CID 122597569
(2S)-2-amino-2-(3-ethenylphenyl)propan-1-ol
CID 55276189
2-(3-ethenylphenyl)-1,1,1-trifluoropropan-2-ol
CID 20743972
2-[2-(4-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxy]propyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate
CID 19917557
(2-heptan-2-yl-3-methyloct-1-enyl) N-[2-[3-[2-[(2-heptan-2-yl-3-methyloct-1-enoxy)carbonylamino]propan-2-yl]phenyl]propan-2-yl]carbamate
CID 166727396
2-[2-[3-[2-(methoxycarbonylamino)propan-2-yl]phenyl]propan-2-ylcarbamoyloxy]ethyl 2-methylprop-2-enoate
CID 176797628
2-methoxypropyl N-[2-[3-(2-acetamidopropan-2-yl)phenyl]propan-2-yl]carbamate
CID 59102822
2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxymethyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate
CID 22967201

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[2-(3-ethenylphenyl)propan-2-yl]carbamate?
The IUPAC name of propan-2-yl N-[2-(3-ethenylphenyl)propan-2-yl]carbamate (CID 141340360) is propan-2-yl N-[2-(3-ethenylphenyl)propan-2-yl]carbamate.
What is the SMILES notation for propan-2-yl N-[2-(3-ethenylphenyl)propan-2-yl]carbamate?
The canonical SMILES for propan-2-yl N-[2-(3-ethenylphenyl)propan-2-yl]carbamate is C=Cc1cccc(C(C)(C)NC(=O)OC(C)C)c1.
What is the InChIKey of propan-2-yl N-[2-(3-ethenylphenyl)propan-2-yl]carbamate?
The InChIKey is RIHQNZMRYLULIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-6-12-8-7-9-13(10-12)15(4,5)16-14(17)18-11(2)3/h6-11H,1H2,2-5H3,(H,16,17).
What are the key properties of propan-2-yl N-[2-(3-ethenylphenyl)propan-2-yl]carbamate?
propan-2-yl N-[2-(3-ethenylphenyl)propan-2-yl]carbamate has a molecular weight of 247.34 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[2-(3-ethenylphenyl)propan-2-yl]carbamate is sourced from PubChem (CID 141340360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).