[2-(3-chlorophenyl)-2-hydroxyethyl] N,N-di(propan-2-yl)carbamate

C15H22ClNO3 — CID 102598448

IUPAC[2-(3-chlorophenyl)-2-hydroxyethyl] N,N-di(propan-2-yl)carbamate
SMILESCC(C)N(C(=O)OCC(O)c1cccc(Cl)c1)C(C)C
InChIInChI=1S/C15H22ClNO3/c1-10(2)17(11(3)4)15(19)20-9-14(18)12-6-5-7-13(16)8-12/h5-8,10-11,14,18H,9H2,1-4H3
InChIKeyRGXHXTFRYPJCFP-UHFFFAOYSA-N
MW299.80 g/mol
LogP3.63
Rot. Bonds5

About [2-(3-chlorophenyl)-2-hydroxyethyl] N,N-di(propan-2-yl)carbamate

[2-(3-chlorophenyl)-2-hydroxyethyl] N,N-di(propan-2-yl)carbamate (PubChem CID 102598448) has the molecular formula C15H22ClNO3 and a molecular weight of 299.80 g/mol. Its IUPAC name is [2-(3-chlorophenyl)-2-hydroxyethyl] N,N-di(propan-2-yl)carbamate.

Molecular Properties

Compound Name[2-(3-chlorophenyl)-2-hydroxyethyl] N,N-di(propan-2-yl)carbamate
PubChem CID102598448
Molecular FormulaC15H22ClNO3
Molecular Weight299.80 g/mol
Exact Mass299.13
IUPAC Name[2-(3-chlorophenyl)-2-hydroxyethyl] N,N-di(propan-2-yl)carbamate
SMILESCC(C)N(C(=O)OCC(O)c1cccc(Cl)c1)C(C)C
InChIInChI=1S/C15H22ClNO3/c1-10(2)17(11(3)4)15(19)20-9-14(18)12-6-5-7-13(16)8-12/h5-8,10-11,14,18H,9H2,1-4H3
InChIKeyRGXHXTFRYPJCFP-UHFFFAOYSA-N
XLogP3.63
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-(3-chlorophenyl)-3-hydroxypropyl]-N-propan-2-ylcarbamate
CID 59364370
[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl] N-tert-butyl-N-[2-[4-(4-hydroxyphenyl)sulfanylphenyl]ethyl]carbamate
CID 90791053
methyl (2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propanoate
CID 139647161
2-amino-1-(3-chlorophenyl)ethanol;carbonic acid
CID 67865938
methyl (3R)-3-(3-chlorophenyl)-3-hydroxypropanoate
CID 15081586
2-(3-chlorophenoxy)-1-(3-chlorophenyl)ethanol
CID 115766354
[(2S)-2-[di(propan-2-yl)carbamoyloxy]-2-phenylethyl] N,N-di(propan-2-yl)carbamate
CID 102588636
methyl 3-[[2-(3-chlorophenyl)-2-hydroxyethyl]-cyclopropylamino]-2-methylpropanoate
CID 111487699
methyl (2R)-2-[(2-chloroacetyl)-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propanoate
CID 139647175
ethyl 2-[(3-chlorophenyl)-hydroxymethyl]-3-methylbutanoate
CID 62396786
3-[2-amino-1-(3-chlorophenyl)ethoxy]butan-2-ol
CID 103377250
3-(3-chlorophenyl)butanoic acid
CID 71683749

Frequently Asked Questions

What is the IUPAC name of [2-(3-chlorophenyl)-2-hydroxyethyl] N,N-di(propan-2-yl)carbamate?
The IUPAC name of [2-(3-chlorophenyl)-2-hydroxyethyl] N,N-di(propan-2-yl)carbamate (CID 102598448) is [2-(3-chlorophenyl)-2-hydroxyethyl] N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for [2-(3-chlorophenyl)-2-hydroxyethyl] N,N-di(propan-2-yl)carbamate?
The canonical SMILES for [2-(3-chlorophenyl)-2-hydroxyethyl] N,N-di(propan-2-yl)carbamate is CC(C)N(C(=O)OCC(O)c1cccc(Cl)c1)C(C)C.
What is the InChIKey of [2-(3-chlorophenyl)-2-hydroxyethyl] N,N-di(propan-2-yl)carbamate?
The InChIKey is RGXHXTFRYPJCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3/c1-10(2)17(11(3)4)15(19)20-9-14(18)12-6-5-7-13(16)8-12/h5-8,10-11,14,18H,9H2,1-4H3.
What are the key properties of [2-(3-chlorophenyl)-2-hydroxyethyl] N,N-di(propan-2-yl)carbamate?
[2-(3-chlorophenyl)-2-hydroxyethyl] N,N-di(propan-2-yl)carbamate has a molecular weight of 299.80 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chlorophenyl)-2-hydroxyethyl] N,N-di(propan-2-yl)carbamate is sourced from PubChem (CID 102598448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).