N-ethyl-N-[3-(phenylcarbamoyloxy)phenyl]carbamate

C16H15N2O4- — CID 23210449

IUPACN-ethyl-N-[3-(phenylcarbamoyloxy)phenyl]carbamate
SMILESCCN(C(=O)[O-])c1cccc(OC(=O)Nc2ccccc2)c1
InChIInChI=1S/C16H16N2O4/c1-2-18(16(20)21)13-9-6-10-14(11-13)22-15(19)17-12-7-4-3-5-8-12/h3-11H,2H2,1H3,(H,17,19)(H,20,21)/p-1
InChIKeyYKDPKNHDHODJIX-UHFFFAOYSA-M
MW299.31 g/mol
LogP2.47
Rot. Bonds4

About N-ethyl-N-[3-(phenylcarbamoyloxy)phenyl]carbamate

N-ethyl-N-[3-(phenylcarbamoyloxy)phenyl]carbamate (PubChem CID 23210449) has the molecular formula C16H15N2O4- and a molecular weight of 299.31 g/mol. Its IUPAC name is N-ethyl-N-[3-(phenylcarbamoyloxy)phenyl]carbamate.

Molecular Properties

Compound NameN-ethyl-N-[3-(phenylcarbamoyloxy)phenyl]carbamate
PubChem CID23210449
Molecular FormulaC16H15N2O4-
Molecular Weight299.31 g/mol
Exact Mass299.10
IUPAC NameN-ethyl-N-[3-(phenylcarbamoyloxy)phenyl]carbamate
SMILESCCN(C(=O)[O-])c1cccc(OC(=O)Nc2ccccc2)c1
InChIInChI=1S/C16H16N2O4/c1-2-18(16(20)21)13-9-6-10-14(11-13)22-15(19)17-12-7-4-3-5-8-12/h3-11H,2H2,1H3,(H,17,19)(H,20,21)/p-1
InChIKeyYKDPKNHDHODJIX-UHFFFAOYSA-M
XLogP2.47
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 57133762
[3-(phenoxycarbonylamino)phenyl] N-methylcarbamate
CID 134105214
[3-(methylcarbamothioylamino)phenyl] N-phenylcarbamate
CID 160992044
ethyl-[3-[phenyl(propyl)carbamoyl]oxyphenyl]carbamic acid
CID 57057134
N'-ethyl-N'-(3-methylphenyl)-N-phenyloxamide
CID 108521844
(3,5-dimethoxyphenyl) N-phenylcarbamate
CID 23281948
[3-(diethylamino)phenyl] N-ethylcarbamate;iodomethane
CID 23621882
phenyl N-[3-(methylaminomethyl)phenyl]carbamate
CID 43602480
2-(N-ethylanilino)-N-(3-methoxyphenyl)acetamide
CID 51159812
(4-acetamidophenyl) N-phenylcarbamate
CID 58706000
[3-(ethoxycarbonylamino)phenyl] N-(3-methylphenyl)carbamate;[3-(ethoxycarbonylamino)phenyl] N-phenylcarbamate;[3-(methoxycarbonylamino)phenyl] N-(3-methylphenyl)carbamate;methyl N-(3,4-dichlorophenyl)carbamate;[3-(propan-2-yloxycarbonylamino)phenyl] N-ethyl-N-phenylcarbamate;propan-2-yl N-phenylcarbamate
CID 173164325
[3-[ethyl(phenyl)carbamoyl]oxyphenyl]-propan-2-ylcarbamic acid
CID 57100117

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[3-(phenylcarbamoyloxy)phenyl]carbamate?
The IUPAC name of N-ethyl-N-[3-(phenylcarbamoyloxy)phenyl]carbamate (CID 23210449) is N-ethyl-N-[3-(phenylcarbamoyloxy)phenyl]carbamate.
What is the SMILES notation for N-ethyl-N-[3-(phenylcarbamoyloxy)phenyl]carbamate?
The canonical SMILES for N-ethyl-N-[3-(phenylcarbamoyloxy)phenyl]carbamate is CCN(C(=O)[O-])c1cccc(OC(=O)Nc2ccccc2)c1.
What is the InChIKey of N-ethyl-N-[3-(phenylcarbamoyloxy)phenyl]carbamate?
The InChIKey is YKDPKNHDHODJIX-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H16N2O4/c1-2-18(16(20)21)13-9-6-10-14(11-13)22-15(19)17-12-7-4-3-5-8-12/h3-11H,2H2,1H3,(H,17,19)(H,20,21)/p-1.
What are the key properties of N-ethyl-N-[3-(phenylcarbamoyloxy)phenyl]carbamate?
N-ethyl-N-[3-(phenylcarbamoyloxy)phenyl]carbamate has a molecular weight of 299.31 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[3-(phenylcarbamoyloxy)phenyl]carbamate is sourced from PubChem (CID 23210449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).