(3-ethoxy-4-phenylmethoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate

C17H19N3O5 — CID 22363189

IUPAC(3-ethoxy-4-phenylmethoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate
SMILESCCOc1c(OCc2ccccc2)ccnc1OC(=O)NC(=O)CN
InChIInChI=1S/C17H19N3O5/c1-2-23-15-13(24-11-12-6-4-3-5-7-12)8-9-19-16(15)25-17(22)20-14(21)10-18/h3-9H,2,10-11,18H2,1H3,(H,20,21,22)
InChIKeyBAHLVTIEQVZPDO-UHFFFAOYSA-N
MW345.36 g/mol
LogP1.63
Rot. Bonds7

About (3-ethoxy-4-phenylmethoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate

(3-ethoxy-4-phenylmethoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate (PubChem CID 22363189) has the molecular formula C17H19N3O5 and a molecular weight of 345.36 g/mol. Its IUPAC name is (3-ethoxy-4-phenylmethoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate.

Molecular Properties

Compound Name(3-ethoxy-4-phenylmethoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate
PubChem CID22363189
Molecular FormulaC17H19N3O5
Molecular Weight345.36 g/mol
Exact Mass345.13
IUPAC Name(3-ethoxy-4-phenylmethoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate
SMILESCCOc1c(OCc2ccccc2)ccnc1OC(=O)NC(=O)CN
InChIInChI=1S/C17H19N3O5/c1-2-23-15-13(24-11-12-6-4-3-5-7-12)8-9-19-16(15)25-17(22)20-14(21)10-18/h3-9H,2,10-11,18H2,1H3,(H,20,21,22)
InChIKeyBAHLVTIEQVZPDO-UHFFFAOYSA-N
XLogP1.63
TPSA112.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3-ethoxy-4-phenylmethoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate?
The IUPAC name of (3-ethoxy-4-phenylmethoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate (CID 22363189) is (3-ethoxy-4-phenylmethoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate.
What is the SMILES notation for (3-ethoxy-4-phenylmethoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate?
The canonical SMILES for (3-ethoxy-4-phenylmethoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate is CCOc1c(OCc2ccccc2)ccnc1OC(=O)NC(=O)CN.
What is the InChIKey of (3-ethoxy-4-phenylmethoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate?
The InChIKey is BAHLVTIEQVZPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5/c1-2-23-15-13(24-11-12-6-4-3-5-7-12)8-9-19-16(15)25-17(22)20-14(21)10-18/h3-9H,2,10-11,18H2,1H3,(H,20,21,22).
What are the key properties of (3-ethoxy-4-phenylmethoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate?
(3-ethoxy-4-phenylmethoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate has a molecular weight of 345.36 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxy-4-phenylmethoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate is sourced from PubChem (CID 22363189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).