[pentan-3-yl(phenoxycarbonyloxy)amino] phenyl carbonate

C19H21NO6 — CID 88728629

IUPAC[pentan-3-yl(phenoxycarbonyloxy)amino] phenyl carbonate
SMILESCCC(CC)N(OC(=O)Oc1ccccc1)OC(=O)Oc1ccccc1
InChIInChI=1S/C19H21NO6/c1-3-15(4-2)20(25-18(21)23-16-11-7-5-8-12-16)26-19(22)24-17-13-9-6-10-14-17/h5-15H,3-4H2,1-2H3
InChIKeyMNOJZIVINZWRJS-UHFFFAOYSA-N
MW359.38 g/mol
LogP4.74
Rot. Bonds7

About [pentan-3-yl(phenoxycarbonyloxy)amino] phenyl carbonate

[pentan-3-yl(phenoxycarbonyloxy)amino] phenyl carbonate (PubChem CID 88728629) has the molecular formula C19H21NO6 and a molecular weight of 359.38 g/mol. Its IUPAC name is [pentan-3-yl(phenoxycarbonyloxy)amino] phenyl carbonate.

Molecular Properties

Compound Name[pentan-3-yl(phenoxycarbonyloxy)amino] phenyl carbonate
PubChem CID88728629
Molecular FormulaC19H21NO6
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC Name[pentan-3-yl(phenoxycarbonyloxy)amino] phenyl carbonate
SMILESCCC(CC)N(OC(=O)Oc1ccccc1)OC(=O)Oc1ccccc1
InChIInChI=1S/C19H21NO6/c1-3-15(4-2)20(25-18(21)23-16-11-7-5-8-12-16)26-19(22)24-17-13-9-6-10-14-17/h5-15H,3-4H2,1-2H3
InChIKeyMNOJZIVINZWRJS-UHFFFAOYSA-N
XLogP4.74
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

diphenyl carbonate;ethoxyethane
CID 67230205
dimethyl carbonate;methyl phenyl carbonate
CID 70311897
ethane;methyl phenyl carbonate
CID 91113838
phenyl N-pentan-3-yl-N-(2,2,2-trifluoroethyl)carbamate
CID 64591515
phenyl 2-methylbutanoate;trimethylalumane
CID 155613755
diphenyl carbonate;ethane;molecular iodine
CID 159087497
(dimethylamino)methyl phenyl carbonate
CID 59882405
diphenyl carbonate;phenyl acetate
CID 90936233
phenyl propanoate
CID 161258381
methyl (4-phenoxyphenyl) carbonate
CID 19704468
phenyl 2-(aminomethyl)butanoate
CID 174556274
CID 161494205
CID 161494205

Frequently Asked Questions

What is the IUPAC name of [pentan-3-yl(phenoxycarbonyloxy)amino] phenyl carbonate?
The IUPAC name of [pentan-3-yl(phenoxycarbonyloxy)amino] phenyl carbonate (CID 88728629) is [pentan-3-yl(phenoxycarbonyloxy)amino] phenyl carbonate.
What is the SMILES notation for [pentan-3-yl(phenoxycarbonyloxy)amino] phenyl carbonate?
The canonical SMILES for [pentan-3-yl(phenoxycarbonyloxy)amino] phenyl carbonate is CCC(CC)N(OC(=O)Oc1ccccc1)OC(=O)Oc1ccccc1.
What is the InChIKey of [pentan-3-yl(phenoxycarbonyloxy)amino] phenyl carbonate?
The InChIKey is MNOJZIVINZWRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO6/c1-3-15(4-2)20(25-18(21)23-16-11-7-5-8-12-16)26-19(22)24-17-13-9-6-10-14-17/h5-15H,3-4H2,1-2H3.
What are the key properties of [pentan-3-yl(phenoxycarbonyloxy)amino] phenyl carbonate?
[pentan-3-yl(phenoxycarbonyloxy)amino] phenyl carbonate has a molecular weight of 359.38 g/mol, XLogP of 4.74, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [pentan-3-yl(phenoxycarbonyloxy)amino] phenyl carbonate is sourced from PubChem (CID 88728629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).