N-[1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-1-benzofuran-2-carboxamide

C20H20N2O4 — CID 3241239

IUPACN-[1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-1-benzofuran-2-carboxamide
SMILESCOc1ccc(CNC(=O)C(C)NC(=O)c2cc3ccccc3o2)cc1
InChIInChI=1S/C20H20N2O4/c1-13(19(23)21-12-14-7-9-16(25-2)10-8-14)22-20(24)18-11-15-5-3-4-6-17(15)26-18/h3-11,13H,12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyQXFFLLKCPABWFO-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.88
Rot. Bonds6

About N-[1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-1-benzofuran-2-carboxamide

N-[1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-1-benzofuran-2-carboxamide (PubChem CID 3241239) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-[1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-1-benzofuran-2-carboxamide
PubChem CID3241239
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC NameN-[1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-1-benzofuran-2-carboxamide
SMILESCOc1ccc(CNC(=O)C(C)NC(=O)c2cc3ccccc3o2)cc1
InChIInChI=1S/C20H20N2O4/c1-13(19(23)21-12-14-7-9-16(25-2)10-8-14)22-20(24)18-11-15-5-3-4-6-17(15)26-18/h3-11,13H,12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyQXFFLLKCPABWFO-UHFFFAOYSA-N
XLogP2.88
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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1-(1-Benzofuran-2-ylcarbonyl)-4-methylpiperidine
CID 977492
5-(4-chlorophenyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide
CID 44182306
N-[4-(5-{[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl}furan-2-yl)phenyl]-1-benzofuran-2-carboxamide
CID 44182307

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-1-benzofuran-2-carboxamide (CID 3241239) is N-[1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-1-benzofuran-2-carboxamide is COc1ccc(CNC(=O)C(C)NC(=O)c2cc3ccccc3o2)cc1.
What is the InChIKey of N-[1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-1-benzofuran-2-carboxamide?
The InChIKey is QXFFLLKCPABWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-13(19(23)21-12-14-7-9-16(25-2)10-8-14)22-20(24)18-11-15-5-3-4-6-17(15)26-18/h3-11,13H,12H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-[1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-1-benzofuran-2-carboxamide?
N-[1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-1-benzofuran-2-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 3241239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).