phenyl N-[[4-(2-methylpropoxy)phenyl]methyl]-N-phenoxycarbonylcarbamate

C25H25NO5 — CID 141492894

IUPACphenyl N-[[4-(2-methylpropoxy)phenyl]methyl]-N-phenoxycarbonylcarbamate
SMILESCC(C)COc1ccc(CN(C(=O)Oc2ccccc2)C(=O)Oc2ccccc2)cc1
InChIInChI=1S/C25H25NO5/c1-19(2)18-29-21-15-13-20(14-16-21)17-26(24(27)30-22-9-5-3-6-10-22)25(28)31-23-11-7-4-8-12-23/h3-16,19H,17-18H2,1-2H3
InChIKeyHRKUQWGOENLJTA-UHFFFAOYSA-N
MW419.48 g/mol
LogP5.92
Rot. Bonds7

About phenyl N-[[4-(2-methylpropoxy)phenyl]methyl]-N-phenoxycarbonylcarbamate

phenyl N-[[4-(2-methylpropoxy)phenyl]methyl]-N-phenoxycarbonylcarbamate (PubChem CID 141492894) has the molecular formula C25H25NO5 and a molecular weight of 419.48 g/mol. Its IUPAC name is phenyl N-[[4-(2-methylpropoxy)phenyl]methyl]-N-phenoxycarbonylcarbamate.

Molecular Properties

Compound Namephenyl N-[[4-(2-methylpropoxy)phenyl]methyl]-N-phenoxycarbonylcarbamate
PubChem CID141492894
Molecular FormulaC25H25NO5
Molecular Weight419.48 g/mol
Exact Mass419.17
IUPAC Namephenyl N-[[4-(2-methylpropoxy)phenyl]methyl]-N-phenoxycarbonylcarbamate
SMILESCC(C)COc1ccc(CN(C(=O)Oc2ccccc2)C(=O)Oc2ccccc2)cc1
InChIInChI=1S/C25H25NO5/c1-19(2)18-29-21-15-13-20(14-16-21)17-26(24(27)30-22-9-5-3-6-10-22)25(28)31-23-11-7-4-8-12-23/h3-16,19H,17-18H2,1-2H3
InChIKeyHRKUQWGOENLJTA-UHFFFAOYSA-N
XLogP5.92
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.48
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(2-methylpropoxy)phenyl]-2-phenylpropanoic acid
CID 82160480
1,1,3-tris[[4-(2-methylpropoxy)phenyl]methyl]urea
CID 175674842
N-[[4-(2-methylpropoxy)phenyl]methyl]-1-phenylmethanamine
CID 39369134
N-[benzyl(methyl)carbamothioyl]-4-(2-methylpropoxy)benzamide
CID 4937286
N-benzyl-N-(2-cyanoethyl)-4-(2-methylpropoxy)benzamide
CID 43911709
4-[4-(2-methylpropoxy)phenyl]butanoic acid
CID 82050407
(2R)-2-[[4-(2-methylpropoxy)phenyl]methylamino]-2-phenylacetic acid
CID 120510362
(2S)-2-[[4-(2-methylpropoxy)phenyl]methylamino]-2-phenylacetic acid
CID 120511819
phenyl N-[[4-(dimethylamino)phenyl]methyl]-N-methylcarbamate
CID 60655551
2-[[4-(2,2-difluoroethoxy)phenyl]methyl-methylamino]propanoic acid
CID 122036978
methyl N-benzyl-N-methoxycarbonylcarbamate
CID 23462472
(2S)-2-methyl-3-phenoxypropanoic acid
CID 11367349

Frequently Asked Questions

What is the IUPAC name of phenyl N-[[4-(2-methylpropoxy)phenyl]methyl]-N-phenoxycarbonylcarbamate?
The IUPAC name of phenyl N-[[4-(2-methylpropoxy)phenyl]methyl]-N-phenoxycarbonylcarbamate (CID 141492894) is phenyl N-[[4-(2-methylpropoxy)phenyl]methyl]-N-phenoxycarbonylcarbamate.
What is the SMILES notation for phenyl N-[[4-(2-methylpropoxy)phenyl]methyl]-N-phenoxycarbonylcarbamate?
The canonical SMILES for phenyl N-[[4-(2-methylpropoxy)phenyl]methyl]-N-phenoxycarbonylcarbamate is CC(C)COc1ccc(CN(C(=O)Oc2ccccc2)C(=O)Oc2ccccc2)cc1.
What is the InChIKey of phenyl N-[[4-(2-methylpropoxy)phenyl]methyl]-N-phenoxycarbonylcarbamate?
The InChIKey is HRKUQWGOENLJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO5/c1-19(2)18-29-21-15-13-20(14-16-21)17-26(24(27)30-22-9-5-3-6-10-22)25(28)31-23-11-7-4-8-12-23/h3-16,19H,17-18H2,1-2H3.
What are the key properties of phenyl N-[[4-(2-methylpropoxy)phenyl]methyl]-N-phenoxycarbonylcarbamate?
phenyl N-[[4-(2-methylpropoxy)phenyl]methyl]-N-phenoxycarbonylcarbamate has a molecular weight of 419.48 g/mol, XLogP of 5.92, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[[4-(2-methylpropoxy)phenyl]methyl]-N-phenoxycarbonylcarbamate is sourced from PubChem (CID 141492894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).