(2-methyl-1-phenylpropyl) N-propan-2-ylcarbamate

C14H21NO2 — CID 101083275

IUPAC(2-methyl-1-phenylpropyl) N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)OC(c1ccccc1)C(C)C
InChIInChI=1S/C14H21NO2/c1-10(2)13(12-8-6-5-7-9-12)17-14(16)15-11(3)4/h5-11,13H,1-4H3,(H,15,16)
InChIKeyWEXFZNYXEYSVGZ-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.52
Rot. Bonds4

About (2-methyl-1-phenylpropyl) N-propan-2-ylcarbamate

(2-methyl-1-phenylpropyl) N-propan-2-ylcarbamate (PubChem CID 101083275) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (2-methyl-1-phenylpropyl) N-propan-2-ylcarbamate.

Molecular Properties

Compound Name(2-methyl-1-phenylpropyl) N-propan-2-ylcarbamate
PubChem CID101083275
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(2-methyl-1-phenylpropyl) N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)OC(c1ccccc1)C(C)C
InChIInChI=1S/C14H21NO2/c1-10(2)13(12-8-6-5-7-9-12)17-14(16)15-11(3)4/h5-11,13H,1-4H3,(H,15,16)
InChIKeyWEXFZNYXEYSVGZ-UHFFFAOYSA-N
XLogP3.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-2-amino-2-phenylethyl] N-propan-2-ylcarbamate
CID 58681193
(2S)-2-phenyl-2-(propan-2-yloxycarbonylamino)acetic acid
CID 104897066
[1-(2-chlorophenyl)-2-hydroxypropyl] N-propan-2-ylcarbamate
CID 56596269
(2-methyl-1-phenylpropyl) pyridine-2-carboxylate
CID 100987020
[3-methyl-1-oxo-1-(2-phenylethylamino)butan-2-yl] N-propan-2-ylcarbamate
CID 57157051
methyl 2-phenyl-2-(propan-2-yloxycarbonylamino)acetate
CID 62115268
methyl (2S)-2-[(R)-methoxy(phenyl)methyl]-3-methylbutanoate
CID 10752293
[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylpropyl] acetate
CID 70164650
4-methyl-3-phenylpentanoic acid
CID 3249521
2-methyl-3-phenyl-N-propan-2-ylbutanamide
CID 134975619
(1-acetyloxy-1-phenylpropan-2-yl)-trimethylazanium
CID 24833445
[(1R)-1-(2-chlorophenyl)-1-methoxypropan-2-yl] N-propan-2-ylcarbamate
CID 144705888

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1-phenylpropyl) N-propan-2-ylcarbamate?
The IUPAC name of (2-methyl-1-phenylpropyl) N-propan-2-ylcarbamate (CID 101083275) is (2-methyl-1-phenylpropyl) N-propan-2-ylcarbamate.
What is the SMILES notation for (2-methyl-1-phenylpropyl) N-propan-2-ylcarbamate?
The canonical SMILES for (2-methyl-1-phenylpropyl) N-propan-2-ylcarbamate is CC(C)NC(=O)OC(c1ccccc1)C(C)C.
What is the InChIKey of (2-methyl-1-phenylpropyl) N-propan-2-ylcarbamate?
The InChIKey is WEXFZNYXEYSVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10(2)13(12-8-6-5-7-9-12)17-14(16)15-11(3)4/h5-11,13H,1-4H3,(H,15,16).
What are the key properties of (2-methyl-1-phenylpropyl) N-propan-2-ylcarbamate?
(2-methyl-1-phenylpropyl) N-propan-2-ylcarbamate has a molecular weight of 235.33 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1-phenylpropyl) N-propan-2-ylcarbamate is sourced from PubChem (CID 101083275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).