[(1R)-1-(2-chlorophenyl)-1-methoxypropan-2-yl] N-propan-2-ylcarbamate

C14H20ClNO3 — CID 144705888

IUPAC[(1R)-1-(2-chlorophenyl)-1-methoxypropan-2-yl] N-propan-2-ylcarbamate
SMILESCO[C@H](c1ccccc1Cl)C(C)OC(=O)NC(C)C
InChIInChI=1S/C14H20ClNO3/c1-9(2)16-14(17)19-10(3)13(18-4)11-7-5-6-8-12(11)15/h5-10,13H,1-4H3,(H,16,17)/t10?,13-/m0/s1
InChIKeyFSGQEHWLAKCDFJ-HQVZTVAUSA-N
MW285.77 g/mol
LogP3.55
Rot. Bonds5

About [(1R)-1-(2-chlorophenyl)-1-methoxypropan-2-yl] N-propan-2-ylcarbamate

[(1R)-1-(2-chlorophenyl)-1-methoxypropan-2-yl] N-propan-2-ylcarbamate (PubChem CID 144705888) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is [(1R)-1-(2-chlorophenyl)-1-methoxypropan-2-yl] N-propan-2-ylcarbamate.

Molecular Properties

Compound Name[(1R)-1-(2-chlorophenyl)-1-methoxypropan-2-yl] N-propan-2-ylcarbamate
PubChem CID144705888
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Name[(1R)-1-(2-chlorophenyl)-1-methoxypropan-2-yl] N-propan-2-ylcarbamate
SMILESCO[C@H](c1ccccc1Cl)C(C)OC(=O)NC(C)C
InChIInChI=1S/C14H20ClNO3/c1-9(2)16-14(17)19-10(3)13(18-4)11-7-5-6-8-12(11)15/h5-10,13H,1-4H3,(H,16,17)/t10?,13-/m0/s1
InChIKeyFSGQEHWLAKCDFJ-HQVZTVAUSA-N
XLogP3.55
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-chlorophenyl)-2-hydroxypropyl] N-propan-2-ylcarbamate
CID 56596269
[(1S,2S)-1-(2-chlorophenyl)-1-methoxypropan-2-yl] 3-methylbutanoate
CID 157293232
[(1S,2S)-1-(2,3-dichlorophenyl)-1-methoxypropan-2-yl] acetate
CID 118683201
[3-(2-chlorophenyl)-3-(methoxymethoxy)-2-methylpropyl] N-propan-2-ylcarbamate
CID 123237058
[1-methoxy-1-(2-methylphenyl)propan-2-yl] N-hexan-3-ylcarbamate
CID 123694763
[1-(2-chlorophenyl)-1-hydroxypropan-2-yl] N-butan-2-ylcarbamate
CID 90433258
[1-methoxy-1-(2-methylphenyl)propan-2-yl] N-propylcarbamate
CID 123214058
[1-(2-chlorophenyl)-1-(1-methoxypentoxy)propan-2-yl] N-propylcarbamate
CID 123499796
1-[(1S)-1-(2-chlorophenyl)ethyl]-3-propan-2-ylurea
CID 29026170
[2-carbamoyloxy-1-(2-chlorophenyl)propyl]carbamic acid
CID 175407136
[1-(2-chlorophenyl)-2-methoxybutyl]carbamic acid
CID 175407275
N-[1-(2-chlorophenyl)ethyl]-3-methylbutanamide
CID 78773468

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(2-chlorophenyl)-1-methoxypropan-2-yl] N-propan-2-ylcarbamate?
The IUPAC name of [(1R)-1-(2-chlorophenyl)-1-methoxypropan-2-yl] N-propan-2-ylcarbamate (CID 144705888) is [(1R)-1-(2-chlorophenyl)-1-methoxypropan-2-yl] N-propan-2-ylcarbamate.
What is the SMILES notation for [(1R)-1-(2-chlorophenyl)-1-methoxypropan-2-yl] N-propan-2-ylcarbamate?
The canonical SMILES for [(1R)-1-(2-chlorophenyl)-1-methoxypropan-2-yl] N-propan-2-ylcarbamate is CO[C@H](c1ccccc1Cl)C(C)OC(=O)NC(C)C.
What is the InChIKey of [(1R)-1-(2-chlorophenyl)-1-methoxypropan-2-yl] N-propan-2-ylcarbamate?
The InChIKey is FSGQEHWLAKCDFJ-HQVZTVAUSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-9(2)16-14(17)19-10(3)13(18-4)11-7-5-6-8-12(11)15/h5-10,13H,1-4H3,(H,16,17)/t10?,13-/m0/s1.
What are the key properties of [(1R)-1-(2-chlorophenyl)-1-methoxypropan-2-yl] N-propan-2-ylcarbamate?
[(1R)-1-(2-chlorophenyl)-1-methoxypropan-2-yl] N-propan-2-ylcarbamate has a molecular weight of 285.77 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(2-chlorophenyl)-1-methoxypropan-2-yl] N-propan-2-ylcarbamate is sourced from PubChem (CID 144705888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).