N-[2-(dimethylamino)-2-phenylethyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide

C21H24N2O3 — CID 51153654

IUPACN-[2-(dimethylamino)-2-phenylethyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
SMILESCOCc1c(C(=O)NCC(c2ccccc2)N(C)C)oc2ccccc12
InChIInChI=1S/C21H24N2O3/c1-23(2)18(15-9-5-4-6-10-15)13-22-21(24)20-17(14-25-3)16-11-7-8-12-19(16)26-20/h4-12,18H,13-14H2,1-3H3,(H,22,24)
InChIKeyXVRGUEMKTYKUFZ-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.61
Rot. Bonds7

About N-[2-(dimethylamino)-2-phenylethyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide

N-[2-(dimethylamino)-2-phenylethyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide (PubChem CID 51153654) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-phenylethyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-phenylethyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
PubChem CID51153654
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-[2-(dimethylamino)-2-phenylethyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
SMILESCOCc1c(C(=O)NCC(c2ccccc2)N(C)C)oc2ccccc12
InChIInChI=1S/C21H24N2O3/c1-23(2)18(15-9-5-4-6-10-15)13-22-21(24)20-17(14-25-3)16-11-7-8-12-19(16)26-20/h4-12,18H,13-14H2,1-3H3,(H,22,24)
InChIKeyXVRGUEMKTYKUFZ-UHFFFAOYSA-N
XLogP3.61
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(methoxymethyl)-N-[(2S)-2-phenylpropyl]-1-benzofuran-2-carboxamide
CID 9089939
N-(2-methoxyethyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 9205135
N-(4-anilinophenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 55370282
N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide
CID 39960543
N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 2603906
N-tert-butyl-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 8779973
2-[2-[[3-(methoxymethyl)-1-benzofuran-2-carbonyl]amino]ethylsulfanyl]acetic acid
CID 119241326
3-(methoxymethyl)-N-(1-pyridin-4-ylethyl)-1-benzofuran-2-carboxamide
CID 51148702
N-[2-(diethylamino)-2-phenylethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 18167066
(2S)-2-[[3-(methoxymethyl)-1-benzofuran-2-carbonyl]amino]-4-methylpentanoic acid
CID 119360844
[4-[[[3-(methoxymethyl)-1-benzofuran-2-carbonyl]amino]methyl]phenyl]methyl-dimethylazanium
CID 8533387
N-(1,3-benzodioxol-5-ylmethyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 4789921

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide (CID 51153654) is N-[2-(dimethylamino)-2-phenylethyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-phenylethyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-phenylethyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide is COCc1c(C(=O)NCC(c2ccccc2)N(C)C)oc2ccccc12.
What is the InChIKey of N-[2-(dimethylamino)-2-phenylethyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide?
The InChIKey is XVRGUEMKTYKUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-23(2)18(15-9-5-4-6-10-15)13-22-21(24)20-17(14-25-3)16-11-7-8-12-19(16)26-20/h4-12,18H,13-14H2,1-3H3,(H,22,24).
What are the key properties of N-[2-(dimethylamino)-2-phenylethyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide?
N-[2-(dimethylamino)-2-phenylethyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide has a molecular weight of 352.43 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-phenylethyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 51153654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).