2-phenylethyl N-propan-2-ylcarbamate

C12H17NO2 — CID 23548887

IUPAC2-phenylethyl N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)OCCc1ccccc1
InChIInChI=1S/C12H17NO2/c1-10(2)13-12(14)15-9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,13,14)
InChIKeyLOHIPPQOZNWKII-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.36
Rot. Bonds4

About 2-phenylethyl N-propan-2-ylcarbamate

2-phenylethyl N-propan-2-ylcarbamate (PubChem CID 23548887) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-phenylethyl N-propan-2-ylcarbamate.

Molecular Properties

Compound Name2-phenylethyl N-propan-2-ylcarbamate
PubChem CID23548887
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-phenylethyl N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)OCCc1ccccc1
InChIInChI=1S/C12H17NO2/c1-10(2)13-12(14)15-9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,13,14)
InChIKeyLOHIPPQOZNWKII-UHFFFAOYSA-N
XLogP2.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenylethyl N-carbamoylcarbamate
CID 3027882
2-phenylethyl acetate
CID 7654
2-phenylethyl 2,3,3-trimethylbutanoate
CID 118040086
2-amino-4-phenyl-N-propan-2-ylbutanamide
CID 114924577
2-(2-phenylethoxycarbonylamino)oxyacetic acid
CID 91667031
2-[2-oxo-2-(2-phenylethoxy)ethyl]sulfinylpropanoic acid
CID 123103841
acetic acid;2-phenylethyl acetate
CID 174791962
bis(2-phenylethyl) (2S,3S)-2,3-dihydroxybutanedioate
CID 70936130
2-phenylethyl 4-methylpentanoate
CID 69256004
1-iodoethyl 2-phenylethyl carbonate
CID 23449049
[(2R)-2-amino-2-phenylethyl] N-propan-2-ylcarbamate
CID 58681193
2-phenylethyl N-(4-phenylbutyl)carbamate
CID 23058488

Frequently Asked Questions

What is the IUPAC name of 2-phenylethyl N-propan-2-ylcarbamate?
The IUPAC name of 2-phenylethyl N-propan-2-ylcarbamate (CID 23548887) is 2-phenylethyl N-propan-2-ylcarbamate.
What is the SMILES notation for 2-phenylethyl N-propan-2-ylcarbamate?
The canonical SMILES for 2-phenylethyl N-propan-2-ylcarbamate is CC(C)NC(=O)OCCc1ccccc1.
What is the InChIKey of 2-phenylethyl N-propan-2-ylcarbamate?
The InChIKey is LOHIPPQOZNWKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-10(2)13-12(14)15-9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,13,14).
What are the key properties of 2-phenylethyl N-propan-2-ylcarbamate?
2-phenylethyl N-propan-2-ylcarbamate has a molecular weight of 207.27 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethyl N-propan-2-ylcarbamate is sourced from PubChem (CID 23548887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).