[4-(2-methylpropoxycarbonylamino)phenyl] propan-2-yl carbonate

C15H21NO5 — CID 150585771

IUPAC[4-(2-methylpropoxycarbonylamino)phenyl] propan-2-yl carbonate
SMILESCC(C)COC(=O)Nc1ccc(OC(=O)OC(C)C)cc1
InChIInChI=1S/C15H21NO5/c1-10(2)9-19-14(17)16-12-5-7-13(8-6-12)21-15(18)20-11(3)4/h5-8,10-11H,9H2,1-4H3,(H,16,17)
InChIKeyIOUNLEYVVPHDDJ-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.81
Rot. Bonds5

About [4-(2-methylpropoxycarbonylamino)phenyl] propan-2-yl carbonate

[4-(2-methylpropoxycarbonylamino)phenyl] propan-2-yl carbonate (PubChem CID 150585771) has the molecular formula C15H21NO5 and a molecular weight of 295.34 g/mol. Its IUPAC name is [4-(2-methylpropoxycarbonylamino)phenyl] propan-2-yl carbonate.

Molecular Properties

Compound Name[4-(2-methylpropoxycarbonylamino)phenyl] propan-2-yl carbonate
PubChem CID150585771
Molecular FormulaC15H21NO5
Molecular Weight295.34 g/mol
Exact Mass295.14
IUPAC Name[4-(2-methylpropoxycarbonylamino)phenyl] propan-2-yl carbonate
SMILESCC(C)COC(=O)Nc1ccc(OC(=O)OC(C)C)cc1
InChIInChI=1S/C15H21NO5/c1-10(2)9-19-14(17)16-12-5-7-13(8-6-12)21-15(18)20-11(3)4/h5-8,10-11H,9H2,1-4H3,(H,16,17)
InChIKeyIOUNLEYVVPHDDJ-UHFFFAOYSA-N
XLogP3.81
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Related Compounds

2-methylpropyl N-[4-[4-(2-methylpropoxycarbonylamino)phenyl]phenyl]carbamate
CID 18877627
2-methylpropyl N-(4-sulfamoylphenyl)carbamate
CID 18934427
2-methylpropyl N-[4-(2-amino-2-sulfanylideneethyl)phenyl]carbamate
CID 62302077
2-[4-(propan-2-yloxycarbonylamino)phenoxy]acetic acid
CID 63772697
propyl 4-(2-methylpropoxycarbonylamino)benzoate
CID 43404774
[2,3-dihydroxy-4-[(4-methoxyphenyl)carbamoyloxy]butyl] N-(4-methoxyphenyl)carbamate
CID 122366886
ethyl N-(4-propan-2-yloxyphenyl)carbamate
CID 731078
2-methylpropyl N-(3,5-dimethoxyphenyl)carbamate
CID 134090517
2,3-dimethylpentyl N-(4-methoxyphenyl)carbamate
CID 155404047
2-methylpropyl N-[4-[1-(propylamino)ethyl]phenyl]carbamate
CID 43508327
2-fluoro-5-(2-methylpropoxycarbonylamino)benzoic acid
CID 60827611
2-methylpropyl N-(4-chloro-3-hydroxyphenyl)carbamate
CID 64786534

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylpropoxycarbonylamino)phenyl] propan-2-yl carbonate?
The IUPAC name of [4-(2-methylpropoxycarbonylamino)phenyl] propan-2-yl carbonate (CID 150585771) is [4-(2-methylpropoxycarbonylamino)phenyl] propan-2-yl carbonate.
What is the SMILES notation for [4-(2-methylpropoxycarbonylamino)phenyl] propan-2-yl carbonate?
The canonical SMILES for [4-(2-methylpropoxycarbonylamino)phenyl] propan-2-yl carbonate is CC(C)COC(=O)Nc1ccc(OC(=O)OC(C)C)cc1.
What is the InChIKey of [4-(2-methylpropoxycarbonylamino)phenyl] propan-2-yl carbonate?
The InChIKey is IOUNLEYVVPHDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-10(2)9-19-14(17)16-12-5-7-13(8-6-12)21-15(18)20-11(3)4/h5-8,10-11H,9H2,1-4H3,(H,16,17).
What are the key properties of [4-(2-methylpropoxycarbonylamino)phenyl] propan-2-yl carbonate?
[4-(2-methylpropoxycarbonylamino)phenyl] propan-2-yl carbonate has a molecular weight of 295.34 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpropoxycarbonylamino)phenyl] propan-2-yl carbonate is sourced from PubChem (CID 150585771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).