ethyl N-[[4-[(ethoxycarbonylamino)methyl]phenyl]methyl]carbamate

C14H20N2O4 — CID 2165506

IUPACethyl N-[[4-[(ethoxycarbonylamino)methyl]phenyl]methyl]carbamate
SMILESCCOC(=O)NCc1ccc(CNC(=O)OCC)cc1
InChIInChI=1S/C14H20N2O4/c1-3-19-13(17)15-9-11-5-7-12(8-6-11)10-16-14(18)20-4-2/h5-8H,3-4,9-10H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyPMMSBMQEWZYOMN-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.18
Rot. Bonds6

About ethyl N-[[4-[(ethoxycarbonylamino)methyl]phenyl]methyl]carbamate

ethyl N-[[4-[(ethoxycarbonylamino)methyl]phenyl]methyl]carbamate (PubChem CID 2165506) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is ethyl N-[[4-[(ethoxycarbonylamino)methyl]phenyl]methyl]carbamate.

Molecular Properties

Compound Nameethyl N-[[4-[(ethoxycarbonylamino)methyl]phenyl]methyl]carbamate
PubChem CID2165506
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Nameethyl N-[[4-[(ethoxycarbonylamino)methyl]phenyl]methyl]carbamate
SMILESCCOC(=O)NCc1ccc(CNC(=O)OCC)cc1
InChIInChI=1S/C14H20N2O4/c1-3-19-13(17)15-9-11-5-7-12(8-6-11)10-16-14(18)20-4-2/h5-8H,3-4,9-10H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyPMMSBMQEWZYOMN-UHFFFAOYSA-N
XLogP2.18
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[[4-[(ethoxycarbonylamino)methyl]phenyl]methyl]carbamate?
The IUPAC name of ethyl N-[[4-[(ethoxycarbonylamino)methyl]phenyl]methyl]carbamate (CID 2165506) is ethyl N-[[4-[(ethoxycarbonylamino)methyl]phenyl]methyl]carbamate.
What is the SMILES notation for ethyl N-[[4-[(ethoxycarbonylamino)methyl]phenyl]methyl]carbamate?
The canonical SMILES for ethyl N-[[4-[(ethoxycarbonylamino)methyl]phenyl]methyl]carbamate is CCOC(=O)NCc1ccc(CNC(=O)OCC)cc1.
What is the InChIKey of ethyl N-[[4-[(ethoxycarbonylamino)methyl]phenyl]methyl]carbamate?
The InChIKey is PMMSBMQEWZYOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-3-19-13(17)15-9-11-5-7-12(8-6-11)10-16-14(18)20-4-2/h5-8H,3-4,9-10H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of ethyl N-[[4-[(ethoxycarbonylamino)methyl]phenyl]methyl]carbamate?
ethyl N-[[4-[(ethoxycarbonylamino)methyl]phenyl]methyl]carbamate has a molecular weight of 280.32 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[[4-[(ethoxycarbonylamino)methyl]phenyl]methyl]carbamate is sourced from PubChem (CID 2165506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).