methyl N-[2-(diethylamino)ethyl]-N-[4-(2-oxo-4-phenylmethoxy-1-pyridinyl)phenyl]carbamate

C26H31N3O4 — CID 53325166

IUPACmethyl N-[2-(diethylamino)ethyl]-N-[4-(2-oxo-4-phenylmethoxy-1-pyridinyl)phenyl]carbamate
SMILESCCN(CC)CCN(C(=O)OC)c1ccc(-n2ccc(OCc3ccccc3)cc2=O)cc1
InChIInChI=1S/C26H31N3O4/c1-4-27(5-2)17-18-29(26(31)32-3)23-13-11-22(12-14-23)28-16-15-24(19-25(28)30)33-20-21-9-7-6-8-10-21/h6-16,19H,4-5,17-18,20H2,1-3H3
InChIKeyLLBBAYRFUOMWOT-UHFFFAOYSA-N
MW449.55 g/mol
LogP4.33
Rot. Bonds10

About methyl N-[2-(diethylamino)ethyl]-N-[4-(2-oxo-4-phenylmethoxy-1-pyridinyl)phenyl]carbamate

methyl N-[2-(diethylamino)ethyl]-N-[4-(2-oxo-4-phenylmethoxy-1-pyridinyl)phenyl]carbamate (PubChem CID 53325166) has the molecular formula C26H31N3O4 and a molecular weight of 449.55 g/mol. Its IUPAC name is methyl N-[2-(diethylamino)ethyl]-N-[4-(2-oxo-4-phenylmethoxy-1-pyridinyl)phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(diethylamino)ethyl]-N-[4-(2-oxo-4-phenylmethoxy-1-pyridinyl)phenyl]carbamate
PubChem CID53325166
Molecular FormulaC26H31N3O4
Molecular Weight449.55 g/mol
Exact Mass449.23
IUPAC Namemethyl N-[2-(diethylamino)ethyl]-N-[4-(2-oxo-4-phenylmethoxy-1-pyridinyl)phenyl]carbamate
SMILESCCN(CC)CCN(C(=O)OC)c1ccc(-n2ccc(OCc3ccccc3)cc2=O)cc1
InChIInChI=1S/C26H31N3O4/c1-4-27(5-2)17-18-29(26(31)32-3)23-13-11-22(12-14-23)28-16-15-24(19-25(28)30)33-20-21-9-7-6-8-10-21/h6-16,19H,4-5,17-18,20H2,1-3H3
InChIKeyLLBBAYRFUOMWOT-UHFFFAOYSA-N
XLogP4.33
TPSA64.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.55
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(diethylamino)ethyl]-N-[4-(2-oxo-4-phenylmethoxy-1-pyridinyl)phenyl]carbamate?
The IUPAC name of methyl N-[2-(diethylamino)ethyl]-N-[4-(2-oxo-4-phenylmethoxy-1-pyridinyl)phenyl]carbamate (CID 53325166) is methyl N-[2-(diethylamino)ethyl]-N-[4-(2-oxo-4-phenylmethoxy-1-pyridinyl)phenyl]carbamate.
What is the SMILES notation for methyl N-[2-(diethylamino)ethyl]-N-[4-(2-oxo-4-phenylmethoxy-1-pyridinyl)phenyl]carbamate?
The canonical SMILES for methyl N-[2-(diethylamino)ethyl]-N-[4-(2-oxo-4-phenylmethoxy-1-pyridinyl)phenyl]carbamate is CCN(CC)CCN(C(=O)OC)c1ccc(-n2ccc(OCc3ccccc3)cc2=O)cc1.
What is the InChIKey of methyl N-[2-(diethylamino)ethyl]-N-[4-(2-oxo-4-phenylmethoxy-1-pyridinyl)phenyl]carbamate?
The InChIKey is LLBBAYRFUOMWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O4/c1-4-27(5-2)17-18-29(26(31)32-3)23-13-11-22(12-14-23)28-16-15-24(19-25(28)30)33-20-21-9-7-6-8-10-21/h6-16,19H,4-5,17-18,20H2,1-3H3.
What are the key properties of methyl N-[2-(diethylamino)ethyl]-N-[4-(2-oxo-4-phenylmethoxy-1-pyridinyl)phenyl]carbamate?
methyl N-[2-(diethylamino)ethyl]-N-[4-(2-oxo-4-phenylmethoxy-1-pyridinyl)phenyl]carbamate has a molecular weight of 449.55 g/mol, XLogP of 4.33, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(diethylamino)ethyl]-N-[4-(2-oxo-4-phenylmethoxy-1-pyridinyl)phenyl]carbamate is sourced from PubChem (CID 53325166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).