ethyl N-[2-(dimethylamino)ethyl]-N-[2-(ethoxycarbonylamino)-4-methoxyphenyl]carbamate

C17H27N3O5 — CID 19811385

IUPACethyl N-[2-(dimethylamino)ethyl]-N-[2-(ethoxycarbonylamino)-4-methoxyphenyl]carbamate
SMILESCCOC(=O)Nc1cc(OC)ccc1N(CCN(C)C)C(=O)OCC
InChIInChI=1S/C17H27N3O5/c1-6-24-16(21)18-14-12-13(23-5)8-9-15(14)20(11-10-19(3)4)17(22)25-7-2/h8-9,12H,6-7,10-11H2,1-5H3,(H,18,21)
InChIKeyWQLYITGZCFAONW-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.79
Rot. Bonds8

About ethyl N-[2-(dimethylamino)ethyl]-N-[2-(ethoxycarbonylamino)-4-methoxyphenyl]carbamate

ethyl N-[2-(dimethylamino)ethyl]-N-[2-(ethoxycarbonylamino)-4-methoxyphenyl]carbamate (PubChem CID 19811385) has the molecular formula C17H27N3O5 and a molecular weight of 353.42 g/mol. Its IUPAC name is ethyl N-[2-(dimethylamino)ethyl]-N-[2-(ethoxycarbonylamino)-4-methoxyphenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(dimethylamino)ethyl]-N-[2-(ethoxycarbonylamino)-4-methoxyphenyl]carbamate
PubChem CID19811385
Molecular FormulaC17H27N3O5
Molecular Weight353.42 g/mol
Exact Mass353.20
IUPAC Nameethyl N-[2-(dimethylamino)ethyl]-N-[2-(ethoxycarbonylamino)-4-methoxyphenyl]carbamate
SMILESCCOC(=O)Nc1cc(OC)ccc1N(CCN(C)C)C(=O)OCC
InChIInChI=1S/C17H27N3O5/c1-6-24-16(21)18-14-12-13(23-5)8-9-15(14)20(11-10-19(3)4)17(22)25-7-2/h8-9,12H,6-7,10-11H2,1-5H3,(H,18,21)
InChIKeyWQLYITGZCFAONW-UHFFFAOYSA-N
XLogP2.79
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(dimethylamino)ethyl]-N-[2-(ethoxycarbonylamino)-4-methoxyphenyl]carbamate?
The IUPAC name of ethyl N-[2-(dimethylamino)ethyl]-N-[2-(ethoxycarbonylamino)-4-methoxyphenyl]carbamate (CID 19811385) is ethyl N-[2-(dimethylamino)ethyl]-N-[2-(ethoxycarbonylamino)-4-methoxyphenyl]carbamate.
What is the SMILES notation for ethyl N-[2-(dimethylamino)ethyl]-N-[2-(ethoxycarbonylamino)-4-methoxyphenyl]carbamate?
The canonical SMILES for ethyl N-[2-(dimethylamino)ethyl]-N-[2-(ethoxycarbonylamino)-4-methoxyphenyl]carbamate is CCOC(=O)Nc1cc(OC)ccc1N(CCN(C)C)C(=O)OCC.
What is the InChIKey of ethyl N-[2-(dimethylamino)ethyl]-N-[2-(ethoxycarbonylamino)-4-methoxyphenyl]carbamate?
The InChIKey is WQLYITGZCFAONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O5/c1-6-24-16(21)18-14-12-13(23-5)8-9-15(14)20(11-10-19(3)4)17(22)25-7-2/h8-9,12H,6-7,10-11H2,1-5H3,(H,18,21).
What are the key properties of ethyl N-[2-(dimethylamino)ethyl]-N-[2-(ethoxycarbonylamino)-4-methoxyphenyl]carbamate?
ethyl N-[2-(dimethylamino)ethyl]-N-[2-(ethoxycarbonylamino)-4-methoxyphenyl]carbamate has a molecular weight of 353.42 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(dimethylamino)ethyl]-N-[2-(ethoxycarbonylamino)-4-methoxyphenyl]carbamate is sourced from PubChem (CID 19811385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).