4-amino-2-methoxy-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide

C16H18N2O3 — CID 107207796

IUPAC4-amino-2-methoxy-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
SMILESCOc1cc(N)ccc1C(=O)NC1CCCc2occc21
InChIInChI=1S/C16H18N2O3/c1-20-15-9-10(17)5-6-12(15)16(19)18-13-3-2-4-14-11(13)7-8-21-14/h5-9,13H,2-4,17H2,1H3,(H,18,19)
InChIKeyMVHBUYOEEPQBKR-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.68
Rot. Bonds3

About 4-amino-2-methoxy-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide

4-amino-2-methoxy-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide (PubChem CID 107207796) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-amino-2-methoxy-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide.

Molecular Properties

Compound Name4-amino-2-methoxy-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
PubChem CID107207796
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name4-amino-2-methoxy-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
SMILESCOc1cc(N)ccc1C(=O)NC1CCCc2occc21
InChIInChI=1S/C16H18N2O3/c1-20-15-9-10(17)5-6-12(15)16(19)18-13-3-2-4-14-11(13)7-8-21-14/h5-9,13H,2-4,17H2,1H3,(H,18,19)
InChIKeyMVHBUYOEEPQBKR-UHFFFAOYSA-N
XLogP2.68
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
CID 3491146
5-chloro-2-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
CID 60734211
2-methylsulfanyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
CID 42949896
3-amino-4-bromo-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
CID 107813044
5-bromo-2-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
CID 60734129
3-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
CID 86923832
(2S)-2-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide
CID 61274318
2-amino-4-methoxy-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)butanamide
CID 62477129
2-oxo-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 71940019
N-(2-chloro-4,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466185
2,4,5-trimethyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]furan-3-carboxamide
CID 95383153
1-methyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]pyrrole-2-carboxamide
CID 95274864

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methoxy-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide?
The IUPAC name of 4-amino-2-methoxy-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide (CID 107207796) is 4-amino-2-methoxy-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide.
What is the SMILES notation for 4-amino-2-methoxy-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide?
The canonical SMILES for 4-amino-2-methoxy-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide is COc1cc(N)ccc1C(=O)NC1CCCc2occc21.
What is the InChIKey of 4-amino-2-methoxy-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide?
The InChIKey is MVHBUYOEEPQBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-20-15-9-10(17)5-6-12(15)16(19)18-13-3-2-4-14-11(13)7-8-21-14/h5-9,13H,2-4,17H2,1H3,(H,18,19).
What are the key properties of 4-amino-2-methoxy-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide?
4-amino-2-methoxy-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide has a molecular weight of 286.33 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methoxy-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide is sourced from PubChem (CID 107207796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).