phenyl N-ethoxy-N-[ethoxy(phenoxycarbonyl)amino]carbamate

C18H20N2O6 — CID 168878000

IUPACphenyl N-ethoxy-N-[ethoxy(phenoxycarbonyl)amino]carbamate
SMILESCCON(C(=O)Oc1ccccc1)N(OCC)C(=O)Oc1ccccc1
InChIInChI=1S/C18H20N2O6/c1-3-23-19(17(21)25-15-11-7-5-8-12-15)20(24-4-2)18(22)26-16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3
InChIKeyHKNSXTVNVDNJFN-UHFFFAOYSA-N
MW360.37 g/mol
LogP3.81
Rot. Bonds6

About phenyl N-ethoxy-N-[ethoxy(phenoxycarbonyl)amino]carbamate

phenyl N-ethoxy-N-[ethoxy(phenoxycarbonyl)amino]carbamate (PubChem CID 168878000) has the molecular formula C18H20N2O6 and a molecular weight of 360.37 g/mol. Its IUPAC name is phenyl N-ethoxy-N-[ethoxy(phenoxycarbonyl)amino]carbamate.

Molecular Properties

Compound Namephenyl N-ethoxy-N-[ethoxy(phenoxycarbonyl)amino]carbamate
PubChem CID168878000
Molecular FormulaC18H20N2O6
Molecular Weight360.37 g/mol
Exact Mass360.13
IUPAC Namephenyl N-ethoxy-N-[ethoxy(phenoxycarbonyl)amino]carbamate
SMILESCCON(C(=O)Oc1ccccc1)N(OCC)C(=O)Oc1ccccc1
InChIInChI=1S/C18H20N2O6/c1-3-23-19(17(21)25-15-11-7-5-8-12-15)20(24-4-2)18(22)26-16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3
InChIKeyHKNSXTVNVDNJFN-UHFFFAOYSA-N
XLogP3.81
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

phenyl N-methyl-N-[2-[methyl(phenoxycarbonyl)amino]ethyl]carbamate
CID 124926393
diphenyl carbonate;ethoxyethane
CID 67230205
diphenyl oxalate;ethane
CID 162013592
ethyl 2-[benzyl(phenoxycarbonyl)amino]acetate
CID 163811694
phenyl N-[[4-(dimethylamino)phenyl]methyl]-N-methylcarbamate
CID 60655551
phenyl N-(ethylsulfanylmethyl)-N-methylcarbamate
CID 22245503
phenyl N-butyl-N-methylcarbamate
CID 564973
(4-benzylphenyl) N,N-diethylcarbamate
CID 22414998
phenyl propanoate
CID 161258381
CID 161494205
CID 161494205
(4-ethylphenyl) N-methyl-N-phenylcarbamate
CID 91395090
2-[butan-2-yl(phenoxycarbonyl)amino]acetic acid
CID 54925597

Frequently Asked Questions

What is the IUPAC name of phenyl N-ethoxy-N-[ethoxy(phenoxycarbonyl)amino]carbamate?
The IUPAC name of phenyl N-ethoxy-N-[ethoxy(phenoxycarbonyl)amino]carbamate (CID 168878000) is phenyl N-ethoxy-N-[ethoxy(phenoxycarbonyl)amino]carbamate.
What is the SMILES notation for phenyl N-ethoxy-N-[ethoxy(phenoxycarbonyl)amino]carbamate?
The canonical SMILES for phenyl N-ethoxy-N-[ethoxy(phenoxycarbonyl)amino]carbamate is CCON(C(=O)Oc1ccccc1)N(OCC)C(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-ethoxy-N-[ethoxy(phenoxycarbonyl)amino]carbamate?
The InChIKey is HKNSXTVNVDNJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O6/c1-3-23-19(17(21)25-15-11-7-5-8-12-15)20(24-4-2)18(22)26-16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3.
What are the key properties of phenyl N-ethoxy-N-[ethoxy(phenoxycarbonyl)amino]carbamate?
phenyl N-ethoxy-N-[ethoxy(phenoxycarbonyl)amino]carbamate has a molecular weight of 360.37 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-ethoxy-N-[ethoxy(phenoxycarbonyl)amino]carbamate is sourced from PubChem (CID 168878000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).