3-amino-2-ethoxy-N-[(3-methoxyoxolan-3-yl)methyl]benzamide

C15H22N2O4 — CID 104758296

IUPAC3-amino-2-ethoxy-N-[(3-methoxyoxolan-3-yl)methyl]benzamide
SMILESCCOc1c(N)cccc1C(=O)NCC1(OC)CCOC1
InChIInChI=1S/C15H22N2O4/c1-3-21-13-11(5-4-6-12(13)16)14(18)17-9-15(19-2)7-8-20-10-15/h4-6H,3,7-10,16H2,1-2H3,(H,17,18)
InChIKeyJHQFBGCYCDVVLU-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.20
Rot. Bonds6

About 3-amino-2-ethoxy-N-[(3-methoxyoxolan-3-yl)methyl]benzamide

3-amino-2-ethoxy-N-[(3-methoxyoxolan-3-yl)methyl]benzamide (PubChem CID 104758296) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-amino-2-ethoxy-N-[(3-methoxyoxolan-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3-amino-2-ethoxy-N-[(3-methoxyoxolan-3-yl)methyl]benzamide
PubChem CID104758296
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name3-amino-2-ethoxy-N-[(3-methoxyoxolan-3-yl)methyl]benzamide
SMILESCCOc1c(N)cccc1C(=O)NCC1(OC)CCOC1
InChIInChI=1S/C15H22N2O4/c1-3-21-13-11(5-4-6-12(13)16)14(18)17-9-15(19-2)7-8-20-10-15/h4-6H,3,7-10,16H2,1-2H3,(H,17,18)
InChIKeyJHQFBGCYCDVVLU-UHFFFAOYSA-N
XLogP1.20
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]benzamide
CID 104758375
3-amino-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-2-carboxamide
CID 104761387
2-amino-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-carboxamide
CID 104765747
2-amino-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylbenzamide
CID 104758367
2-amino-5-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]benzamide
CID 104758342
2-(ethylamino)-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-carboxamide
CID 104765708
N-[(3-methoxyoxolan-3-yl)methyl]-4-sulfamoylbenzamide
CID 104764689
1-(3-aminophenyl)-3-[(3-methoxyoxolan-3-yl)methyl]urea
CID 104762349
3-amino-2-ethoxy-N-methylbenzamide
CID 112693169
5-chloro-2-hydroxy-N-[(3-methoxyoxolan-3-yl)methyl]benzamide
CID 104708991
3-amino-2-ethoxy-N-(2-hydroxypropyl)benzamide
CID 113386382
4-amino-N-[(3-methoxyoxolan-3-yl)methyl]-1-methylpyrazole-5-carboxamide
CID 104758335

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-ethoxy-N-[(3-methoxyoxolan-3-yl)methyl]benzamide?
The IUPAC name of 3-amino-2-ethoxy-N-[(3-methoxyoxolan-3-yl)methyl]benzamide (CID 104758296) is 3-amino-2-ethoxy-N-[(3-methoxyoxolan-3-yl)methyl]benzamide.
What is the SMILES notation for 3-amino-2-ethoxy-N-[(3-methoxyoxolan-3-yl)methyl]benzamide?
The canonical SMILES for 3-amino-2-ethoxy-N-[(3-methoxyoxolan-3-yl)methyl]benzamide is CCOc1c(N)cccc1C(=O)NCC1(OC)CCOC1.
What is the InChIKey of 3-amino-2-ethoxy-N-[(3-methoxyoxolan-3-yl)methyl]benzamide?
The InChIKey is JHQFBGCYCDVVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-3-21-13-11(5-4-6-12(13)16)14(18)17-9-15(19-2)7-8-20-10-15/h4-6H,3,7-10,16H2,1-2H3,(H,17,18).
What are the key properties of 3-amino-2-ethoxy-N-[(3-methoxyoxolan-3-yl)methyl]benzamide?
3-amino-2-ethoxy-N-[(3-methoxyoxolan-3-yl)methyl]benzamide has a molecular weight of 294.35 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-ethoxy-N-[(3-methoxyoxolan-3-yl)methyl]benzamide is sourced from PubChem (CID 104758296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).