2-methoxyethyl N-[2-[(2,3-dimethylimidazo[1,2-a]pyridin-7-yl)oxymethyl]-3-methylphenyl]carbamate

C21H25N3O4 — CID 139716801

IUPAC2-methoxyethyl N-[2-[(2,3-dimethylimidazo[1,2-a]pyridin-7-yl)oxymethyl]-3-methylphenyl]carbamate
SMILESCOCCOC(=O)Nc1cccc(C)c1COc1ccn2c(C)c(C)nc2c1
InChIInChI=1S/C21H25N3O4/c1-14-6-5-7-19(23-21(25)27-11-10-26-4)18(14)13-28-17-8-9-24-16(3)15(2)22-20(24)12-17/h5-9,12H,10-11,13H2,1-4H3,(H,23,25)
InChIKeyAPJNZCOQUASUDS-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.03
Rot. Bonds7

About 2-methoxyethyl N-[2-[(2,3-dimethylimidazo[1,2-a]pyridin-7-yl)oxymethyl]-3-methylphenyl]carbamate

2-methoxyethyl N-[2-[(2,3-dimethylimidazo[1,2-a]pyridin-7-yl)oxymethyl]-3-methylphenyl]carbamate (PubChem CID 139716801) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-methoxyethyl N-[2-[(2,3-dimethylimidazo[1,2-a]pyridin-7-yl)oxymethyl]-3-methylphenyl]carbamate.

Molecular Properties

Compound Name2-methoxyethyl N-[2-[(2,3-dimethylimidazo[1,2-a]pyridin-7-yl)oxymethyl]-3-methylphenyl]carbamate
PubChem CID139716801
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name2-methoxyethyl N-[2-[(2,3-dimethylimidazo[1,2-a]pyridin-7-yl)oxymethyl]-3-methylphenyl]carbamate
SMILESCOCCOC(=O)Nc1cccc(C)c1COc1ccn2c(C)c(C)nc2c1
InChIInChI=1S/C21H25N3O4/c1-14-6-5-7-19(23-21(25)27-11-10-26-4)18(14)13-28-17-8-9-24-16(3)15(2)22-20(24)12-17/h5-9,12H,10-11,13H2,1-4H3,(H,23,25)
InChIKeyAPJNZCOQUASUDS-UHFFFAOYSA-N
XLogP4.03
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl N-[3-fluoro-2-[[3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-7-yl]oxymethyl]phenyl]carbamate
CID 139767750
2-methylsulfonylethyl N-[2-[[(2,3-dimethylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylphenyl]carbamate
CID 10906129
1-amino-3-[2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-3-methylphenyl]urea
CID 144784562
2-[[(2,3-dimethylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylbenzamide
CID 70296765
1-amino-3-[2-[(6-chloro-2-pyridinyl)oxymethyl]-3-methylphenyl]urea
CID 144783811
8-[(2,6-dimethylphenyl)methylamino]-N-ethoxy-2,3-dimethylimidazo[1,2-a]pyridine-6-carboxamide
CID 150494948
1-amino-3-[2-(methoxymethyl)-3-methylphenyl]-1-methylurea
CID 129110314
methyl N-[2-[(2-chloro-4-ethylphenoxy)methyl]-3-methylphenyl]carbamate
CID 126587706
N-[2-[[(2,3-dimethylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylphenyl]pyridine-3-carboxamide
CID 54464170
[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-[3-(2-methoxyethoxy)azetidin-1-yl]methanone
CID 138622201
[2-[[(2,3-dimethylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylphenyl] methyl carbonate;hydrochloride
CID 22672630
3-amino-3-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)propanoic acid
CID 83841113

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl N-[2-[(2,3-dimethylimidazo[1,2-a]pyridin-7-yl)oxymethyl]-3-methylphenyl]carbamate?
The IUPAC name of 2-methoxyethyl N-[2-[(2,3-dimethylimidazo[1,2-a]pyridin-7-yl)oxymethyl]-3-methylphenyl]carbamate (CID 139716801) is 2-methoxyethyl N-[2-[(2,3-dimethylimidazo[1,2-a]pyridin-7-yl)oxymethyl]-3-methylphenyl]carbamate.
What is the SMILES notation for 2-methoxyethyl N-[2-[(2,3-dimethylimidazo[1,2-a]pyridin-7-yl)oxymethyl]-3-methylphenyl]carbamate?
The canonical SMILES for 2-methoxyethyl N-[2-[(2,3-dimethylimidazo[1,2-a]pyridin-7-yl)oxymethyl]-3-methylphenyl]carbamate is COCCOC(=O)Nc1cccc(C)c1COc1ccn2c(C)c(C)nc2c1.
What is the InChIKey of 2-methoxyethyl N-[2-[(2,3-dimethylimidazo[1,2-a]pyridin-7-yl)oxymethyl]-3-methylphenyl]carbamate?
The InChIKey is APJNZCOQUASUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-14-6-5-7-19(23-21(25)27-11-10-26-4)18(14)13-28-17-8-9-24-16(3)15(2)22-20(24)12-17/h5-9,12H,10-11,13H2,1-4H3,(H,23,25).
What are the key properties of 2-methoxyethyl N-[2-[(2,3-dimethylimidazo[1,2-a]pyridin-7-yl)oxymethyl]-3-methylphenyl]carbamate?
2-methoxyethyl N-[2-[(2,3-dimethylimidazo[1,2-a]pyridin-7-yl)oxymethyl]-3-methylphenyl]carbamate has a molecular weight of 383.45 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl N-[2-[(2,3-dimethylimidazo[1,2-a]pyridin-7-yl)oxymethyl]-3-methylphenyl]carbamate is sourced from PubChem (CID 139716801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).