N-[3-(methylamino)propyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide

C20H22N2O3 — CID 119430694

IUPACN-[3-(methylamino)propyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
SMILESCNCCCNC(=O)c1oc2ccccc2c1COc1ccccc1
InChIInChI=1S/C20H22N2O3/c1-21-12-7-13-22-20(23)19-17(14-24-15-8-3-2-4-9-15)16-10-5-6-11-18(16)25-19/h2-6,8-11,21H,7,12-14H2,1H3,(H,22,23)
InChIKeyXMYFUOVRPVCKBX-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.35
Rot. Bonds8

About N-[3-(methylamino)propyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide

N-[3-(methylamino)propyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide (PubChem CID 119430694) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[3-(methylamino)propyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-(methylamino)propyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
PubChem CID119430694
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-[3-(methylamino)propyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
SMILESCNCCCNC(=O)c1oc2ccccc2c1COc1ccccc1
InChIInChI=1S/C20H22N2O3/c1-21-12-7-13-22-20(23)19-17(14-24-15-8-3-2-4-9-15)16-10-5-6-11-18(16)25-19/h2-6,8-11,21H,7,12-14H2,1H3,(H,22,23)
InChIKeyXMYFUOVRPVCKBX-UHFFFAOYSA-N
XLogP3.35
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 18204711
3-[(dimethylamino)methyl]-N-[3-(methylamino)propyl]-1-benzofuran-2-carboxamide
CID 119432397
3-(phenoxymethyl)-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 7661645
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 51187023
N-[(4-chlorophenyl)methyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 2511433
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 26904052
[2-(3-methoxypropylamino)-2-oxoethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate
CID 8526816
3-(phenoxymethyl)-N-(2-piperazin-1-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 119445982
N-(2-methoxyethyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 9205135
N-(3-acetamidophenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 7914455
N,N-bis(2-methoxyethyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 36840872
N-(4-methylsulfonylphenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 18775166

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylamino)propyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-[3-(methylamino)propyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide (CID 119430694) is N-[3-(methylamino)propyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[3-(methylamino)propyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[3-(methylamino)propyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide is CNCCCNC(=O)c1oc2ccccc2c1COc1ccccc1.
What is the InChIKey of N-[3-(methylamino)propyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide?
The InChIKey is XMYFUOVRPVCKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-21-12-7-13-22-20(23)19-17(14-24-15-8-3-2-4-9-15)16-10-5-6-11-18(16)25-19/h2-6,8-11,21H,7,12-14H2,1H3,(H,22,23).
What are the key properties of N-[3-(methylamino)propyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide?
N-[3-(methylamino)propyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 3.35, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylamino)propyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 119430694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).