[(2R)-3-methyl-1-(2-methylphenyl)butan-2-yl] N-benzylcarbamate

C20H25NO2 — CID 144705783

IUPAC[(2R)-3-methyl-1-(2-methylphenyl)butan-2-yl] N-benzylcarbamate
SMILESCc1ccccc1C[C@@H](OC(=O)NCc1ccccc1)C(C)C
InChIInChI=1S/C20H25NO2/c1-15(2)19(13-18-12-8-7-9-16(18)3)23-20(22)21-14-17-10-5-4-6-11-17/h4-12,15,19H,13-14H2,1-3H3,(H,21,22)/t19-/m1/s1
InChIKeyYFJKAFKZLZBDLK-LJQANCHMSA-N
MW311.43 g/mol
LogP4.49
Rot. Bonds6

About [(2R)-3-methyl-1-(2-methylphenyl)butan-2-yl] N-benzylcarbamate

[(2R)-3-methyl-1-(2-methylphenyl)butan-2-yl] N-benzylcarbamate (PubChem CID 144705783) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is [(2R)-3-methyl-1-(2-methylphenyl)butan-2-yl] N-benzylcarbamate.

Molecular Properties

Compound Name[(2R)-3-methyl-1-(2-methylphenyl)butan-2-yl] N-benzylcarbamate
PubChem CID144705783
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name[(2R)-3-methyl-1-(2-methylphenyl)butan-2-yl] N-benzylcarbamate
SMILESCc1ccccc1C[C@@H](OC(=O)NCc1ccccc1)C(C)C
InChIInChI=1S/C20H25NO2/c1-15(2)19(13-18-12-8-7-9-16(18)3)23-20(22)21-14-17-10-5-4-6-11-17/h4-12,15,19H,13-14H2,1-3H3,(H,21,22)/t19-/m1/s1
InChIKeyYFJKAFKZLZBDLK-LJQANCHMSA-N
XLogP4.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;methoxymethanol;[(2R)-3-methyl-1-(2-methylphenyl)butan-2-yl] N-methylcarbamate;molecular hydrogen
CID 144705828
[1-hydroxy-1-(2-methylphenyl)propan-2-yl] N-benzylcarbamate
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(2S)-N-benzyl-2-[(R)-(2-methylphenyl)methylsulfinyl]propanamide
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[1-methoxy-3-methyl-1-(2-methylphenyl)butan-2-yl] N-benzylcarbamate
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CID 46464858
but-3-en-2-yl N-benzylcarbamate
CID 130012657
[1-(2-aminoethylamino)-1-oxopropan-2-yl] N-benzylcarbamate
CID 162689535
N-benzyl-2-methylpropanamide;methane
CID 160760567
(4-bromo-3-oxobutan-2-yl) N-benzylcarbamate
CID 123160195
benzene;ethyl N-benzylcarbamate
CID 67715166
[1-(benzylamino)-3-methyl-1-oxobutan-2-yl] 2-phenylacetate
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3-(2-methylphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 22309216

Frequently Asked Questions

What is the IUPAC name of [(2R)-3-methyl-1-(2-methylphenyl)butan-2-yl] N-benzylcarbamate?
The IUPAC name of [(2R)-3-methyl-1-(2-methylphenyl)butan-2-yl] N-benzylcarbamate (CID 144705783) is [(2R)-3-methyl-1-(2-methylphenyl)butan-2-yl] N-benzylcarbamate.
What is the SMILES notation for [(2R)-3-methyl-1-(2-methylphenyl)butan-2-yl] N-benzylcarbamate?
The canonical SMILES for [(2R)-3-methyl-1-(2-methylphenyl)butan-2-yl] N-benzylcarbamate is Cc1ccccc1C[C@@H](OC(=O)NCc1ccccc1)C(C)C.
What is the InChIKey of [(2R)-3-methyl-1-(2-methylphenyl)butan-2-yl] N-benzylcarbamate?
The InChIKey is YFJKAFKZLZBDLK-LJQANCHMSA-N. The full InChI is InChI=1S/C20H25NO2/c1-15(2)19(13-18-12-8-7-9-16(18)3)23-20(22)21-14-17-10-5-4-6-11-17/h4-12,15,19H,13-14H2,1-3H3,(H,21,22)/t19-/m1/s1.
What are the key properties of [(2R)-3-methyl-1-(2-methylphenyl)butan-2-yl] N-benzylcarbamate?
[(2R)-3-methyl-1-(2-methylphenyl)butan-2-yl] N-benzylcarbamate has a molecular weight of 311.43 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-methyl-1-(2-methylphenyl)butan-2-yl] N-benzylcarbamate is sourced from PubChem (CID 144705783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).