[3-methoxy-4-[(3-methoxyphenyl)methoxy]-2-pyridinyl] N-(2-aminoacetyl)carbamate

C17H19N3O6 — CID 67691059

IUPAC[3-methoxy-4-[(3-methoxyphenyl)methoxy]-2-pyridinyl] N-(2-aminoacetyl)carbamate
SMILESCOc1cccc(COc2ccnc(OC(=O)NC(=O)CN)c2OC)c1
InChIInChI=1S/C17H19N3O6/c1-23-12-5-3-4-11(8-12)10-25-13-6-7-19-16(15(13)24-2)26-17(22)20-14(21)9-18/h3-8H,9-10,18H2,1-2H3,(H,20,21,22)
InChIKeyHDCZKWYGKPBGCY-UHFFFAOYSA-N
MW361.35 g/mol
LogP1.25
Rot. Bonds7

About [3-methoxy-4-[(3-methoxyphenyl)methoxy]-2-pyridinyl] N-(2-aminoacetyl)carbamate

[3-methoxy-4-[(3-methoxyphenyl)methoxy]-2-pyridinyl] N-(2-aminoacetyl)carbamate (PubChem CID 67691059) has the molecular formula C17H19N3O6 and a molecular weight of 361.35 g/mol. Its IUPAC name is [3-methoxy-4-[(3-methoxyphenyl)methoxy]-2-pyridinyl] N-(2-aminoacetyl)carbamate.

Molecular Properties

Compound Name[3-methoxy-4-[(3-methoxyphenyl)methoxy]-2-pyridinyl] N-(2-aminoacetyl)carbamate
PubChem CID67691059
Molecular FormulaC17H19N3O6
Molecular Weight361.35 g/mol
Exact Mass361.13
IUPAC Name[3-methoxy-4-[(3-methoxyphenyl)methoxy]-2-pyridinyl] N-(2-aminoacetyl)carbamate
SMILESCOc1cccc(COc2ccnc(OC(=O)NC(=O)CN)c2OC)c1
InChIInChI=1S/C17H19N3O6/c1-23-12-5-3-4-11(8-12)10-25-13-6-7-19-16(15(13)24-2)26-17(22)20-14(21)9-18/h3-8H,9-10,18H2,1-2H3,(H,20,21,22)
InChIKeyHDCZKWYGKPBGCY-UHFFFAOYSA-N
XLogP1.25
TPSA122.00 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 4-amino-2-[(3-methoxyphenyl)methoxy]benzoate
CID 106954943
5-amino-2-[(3-methoxyphenyl)methoxy]benzoic acid
CID 43379967
2-amino-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 22690352
2-[(3-methoxyphenyl)methoxy]pyridin-3-amine
CID 24708484
methyl 2-amino-3-[4-[(3-methoxyphenyl)methoxy]phenyl]propanoate;hydrochloride
CID 68667398
2-(3-methoxyphenyl)-N-[3-(pyridin-4-ylmethoxy)-2-pyridinyl]acetamide
CID 51108863
[2-[(3-methoxyphenyl)methoxy]phenyl]methanamine
CID 19627406
3-[(3-methoxyphenyl)methoxy]-4-methylaniline
CID 43520224
[3-bromo-4-[(3-methoxyphenyl)methoxy]phenyl]methanamine
CID 63046855
N-[3-[(3-methoxyphenyl)methoxy]-2-methylphenyl]acetamide
CID 84590450
methyl 2-[(3-methoxyphenyl)methoxy]-5-methylbenzoate
CID 112828222
phenyl N-(2-aminoacetyl)carbamate
CID 20596874

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-4-[(3-methoxyphenyl)methoxy]-2-pyridinyl] N-(2-aminoacetyl)carbamate?
The IUPAC name of [3-methoxy-4-[(3-methoxyphenyl)methoxy]-2-pyridinyl] N-(2-aminoacetyl)carbamate (CID 67691059) is [3-methoxy-4-[(3-methoxyphenyl)methoxy]-2-pyridinyl] N-(2-aminoacetyl)carbamate.
What is the SMILES notation for [3-methoxy-4-[(3-methoxyphenyl)methoxy]-2-pyridinyl] N-(2-aminoacetyl)carbamate?
The canonical SMILES for [3-methoxy-4-[(3-methoxyphenyl)methoxy]-2-pyridinyl] N-(2-aminoacetyl)carbamate is COc1cccc(COc2ccnc(OC(=O)NC(=O)CN)c2OC)c1.
What is the InChIKey of [3-methoxy-4-[(3-methoxyphenyl)methoxy]-2-pyridinyl] N-(2-aminoacetyl)carbamate?
The InChIKey is HDCZKWYGKPBGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O6/c1-23-12-5-3-4-11(8-12)10-25-13-6-7-19-16(15(13)24-2)26-17(22)20-14(21)9-18/h3-8H,9-10,18H2,1-2H3,(H,20,21,22).
What are the key properties of [3-methoxy-4-[(3-methoxyphenyl)methoxy]-2-pyridinyl] N-(2-aminoacetyl)carbamate?
[3-methoxy-4-[(3-methoxyphenyl)methoxy]-2-pyridinyl] N-(2-aminoacetyl)carbamate has a molecular weight of 361.35 g/mol, XLogP of 1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-4-[(3-methoxyphenyl)methoxy]-2-pyridinyl] N-(2-aminoacetyl)carbamate is sourced from PubChem (CID 67691059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).