[1-(2-chlorophenyl)-1-hydroxypropan-2-yl] N-butan-2-ylcarbamate

C14H20ClNO3 — CID 90433258

IUPAC[1-(2-chlorophenyl)-1-hydroxypropan-2-yl] N-butan-2-ylcarbamate
SMILESCCC(C)NC(=O)OC(C)C(O)c1ccccc1Cl
InChIInChI=1S/C14H20ClNO3/c1-4-9(2)16-14(18)19-10(3)13(17)11-7-5-6-8-12(11)15/h5-10,13,17H,4H2,1-3H3,(H,16,18)
InChIKeyBGPCGPMHFIBHRX-UHFFFAOYSA-N
MW285.77 g/mol
LogP3.29
Rot. Bonds5

About [1-(2-chlorophenyl)-1-hydroxypropan-2-yl] N-butan-2-ylcarbamate

[1-(2-chlorophenyl)-1-hydroxypropan-2-yl] N-butan-2-ylcarbamate (PubChem CID 90433258) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is [1-(2-chlorophenyl)-1-hydroxypropan-2-yl] N-butan-2-ylcarbamate.

Molecular Properties

Compound Name[1-(2-chlorophenyl)-1-hydroxypropan-2-yl] N-butan-2-ylcarbamate
PubChem CID90433258
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Name[1-(2-chlorophenyl)-1-hydroxypropan-2-yl] N-butan-2-ylcarbamate
SMILESCCC(C)NC(=O)OC(C)C(O)c1ccccc1Cl
InChIInChI=1S/C14H20ClNO3/c1-4-9(2)16-14(18)19-10(3)13(17)11-7-5-6-8-12(11)15/h5-10,13,17H,4H2,1-3H3,(H,16,18)
InChIKeyBGPCGPMHFIBHRX-UHFFFAOYSA-N
XLogP3.29
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S,2S)-1-(2-chlorophenyl)-1-hydroxypropan-2-yl] 3-methylbutanoate
CID 146696440
[1-(2-chlorophenyl)-2-hydroxypropyl] N-propan-2-ylcarbamate
CID 56596269
[(1R)-1-(2-chlorophenyl)-1-methoxypropan-2-yl] N-propan-2-ylcarbamate
CID 144705888
(2S)-2-amino-N-[1-(2-chlorophenyl)ethyl]-3-methylpentanamide
CID 61258252
ethyl (2S,3R)-3-(2-chlorophenyl)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 100995159
[(1S,2S)-1-(2-chlorophenyl)-1-hydroxypropan-2-yl] N-propan-2-ylsulfamate
CID 139319397
(2R)-N-[(2S)-butan-2-yl]-2-(2-chlorophenoxy)butanamide
CID 38013268
(1S,2R)-1-(2-chlorophenyl)propane-1,2-diol
CID 66634039
3-(2-chlorophenyl)butanoic acid
CID 54775987
2-(2-chlorophenyl)butanoate
CID 22456439
3-amino-1-(2-chlorophenyl)-2-methylpropan-1-ol
CID 60734098
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] (3R)-3-(carbamoylamino)-3-(2-chlorophenyl)propanoate
CID 7757990

Frequently Asked Questions

What is the IUPAC name of [1-(2-chlorophenyl)-1-hydroxypropan-2-yl] N-butan-2-ylcarbamate?
The IUPAC name of [1-(2-chlorophenyl)-1-hydroxypropan-2-yl] N-butan-2-ylcarbamate (CID 90433258) is [1-(2-chlorophenyl)-1-hydroxypropan-2-yl] N-butan-2-ylcarbamate.
What is the SMILES notation for [1-(2-chlorophenyl)-1-hydroxypropan-2-yl] N-butan-2-ylcarbamate?
The canonical SMILES for [1-(2-chlorophenyl)-1-hydroxypropan-2-yl] N-butan-2-ylcarbamate is CCC(C)NC(=O)OC(C)C(O)c1ccccc1Cl.
What is the InChIKey of [1-(2-chlorophenyl)-1-hydroxypropan-2-yl] N-butan-2-ylcarbamate?
The InChIKey is BGPCGPMHFIBHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-4-9(2)16-14(18)19-10(3)13(17)11-7-5-6-8-12(11)15/h5-10,13,17H,4H2,1-3H3,(H,16,18).
What are the key properties of [1-(2-chlorophenyl)-1-hydroxypropan-2-yl] N-butan-2-ylcarbamate?
[1-(2-chlorophenyl)-1-hydroxypropan-2-yl] N-butan-2-ylcarbamate has a molecular weight of 285.77 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chlorophenyl)-1-hydroxypropan-2-yl] N-butan-2-ylcarbamate is sourced from PubChem (CID 90433258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).