tert-butyl N-(2-methyl-6-phenylmethoxyphenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

C24H31NO5 — CID 175096452

IUPACtert-butyl N-(2-methyl-6-phenylmethoxyphenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCc1cccc(OCc2ccccc2)c1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C24H31NO5/c1-17-12-11-15-19(28-16-18-13-9-8-10-14-18)20(17)25(21(26)29-23(2,3)4)22(27)30-24(5,6)7/h8-15H,16H2,1-7H3
InChIKeyIOQYEQDHAKYONP-UHFFFAOYSA-N
MW413.51 g/mol
LogP6.25
Rot. Bonds4

About tert-butyl N-(2-methyl-6-phenylmethoxyphenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

tert-butyl N-(2-methyl-6-phenylmethoxyphenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (PubChem CID 175096452) has the molecular formula C24H31NO5 and a molecular weight of 413.51 g/mol. Its IUPAC name is tert-butyl N-(2-methyl-6-phenylmethoxyphenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-methyl-6-phenylmethoxyphenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
PubChem CID175096452
Molecular FormulaC24H31NO5
Molecular Weight413.51 g/mol
Exact Mass413.22
IUPAC Nametert-butyl N-(2-methyl-6-phenylmethoxyphenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCc1cccc(OCc2ccccc2)c1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C24H31NO5/c1-17-12-11-15-19(28-16-18-13-9-8-10-14-18)20(17)25(21(26)29-23(2,3)4)22(27)30-24(5,6)7/h8-15H,16H2,1-7H3
InChIKeyIOQYEQDHAKYONP-UHFFFAOYSA-N
XLogP6.25
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.51
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methyl-6-phenylmethoxyphenyl)acetic acid
CID 14519888
(2-methyl-6-phenylmethoxyphenyl) acetate
CID 67719682
tert-butyl 2-(2-phenylmethoxyphenyl)prop-2-enoate
CID 174495508
tert-butyl N-(6-methyl-5-phenylmethoxy-3-pyridinyl)carbamate
CID 166524697
ethyl 2-methyl-6-phenylmethoxybenzoate
CID 67461909
5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-2-phenylmethoxybenzoic acid
CID 171385087
8-methyl-4-phenylmethoxynaphthalene-2-carboxylic acid
CID 118562139
N-(2-ethyl-6-methylphenyl)-2-phenylmethoxybenzamide
CID 4946399
N-(2,6-dimethylphenyl)-2-(2-phenylmethoxyanilino)acetamide
CID 54827756
methyl 3-hydroxy-1-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-8-phenylmethoxynaphthalene-2-carboxylate
CID 132503978
tert-butyl 4-(2-formyl-3-phenylmethoxyphenyl)benzoate
CID 178183494
benzyl N-anilino-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 15499636

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-methyl-6-phenylmethoxyphenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The IUPAC name of tert-butyl N-(2-methyl-6-phenylmethoxyphenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (CID 175096452) is tert-butyl N-(2-methyl-6-phenylmethoxyphenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.
What is the SMILES notation for tert-butyl N-(2-methyl-6-phenylmethoxyphenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The canonical SMILES for tert-butyl N-(2-methyl-6-phenylmethoxyphenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is Cc1cccc(OCc2ccccc2)c1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-methyl-6-phenylmethoxyphenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The InChIKey is IOQYEQDHAKYONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO5/c1-17-12-11-15-19(28-16-18-13-9-8-10-14-18)20(17)25(21(26)29-23(2,3)4)22(27)30-24(5,6)7/h8-15H,16H2,1-7H3.
What are the key properties of tert-butyl N-(2-methyl-6-phenylmethoxyphenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
tert-butyl N-(2-methyl-6-phenylmethoxyphenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate has a molecular weight of 413.51 g/mol, XLogP of 6.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-methyl-6-phenylmethoxyphenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is sourced from PubChem (CID 175096452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).