N-(furan-2-ylmethyl)-3-[[2-[(4-methoxyphenyl)methylamino]acetyl]amino]benzamide

C22H23N3O4 — CID 54837825

IUPACN-(furan-2-ylmethyl)-3-[[2-[(4-methoxyphenyl)methylamino]acetyl]amino]benzamide
SMILESCOc1ccc(CNCC(=O)Nc2cccc(C(=O)NCc3ccco3)c2)cc1
InChIInChI=1S/C22H23N3O4/c1-28-19-9-7-16(8-10-19)13-23-15-21(26)25-18-5-2-4-17(12-18)22(27)24-14-20-6-3-11-29-20/h2-12,23H,13-15H2,1H3,(H,24,27)(H,25,26)
InChIKeyVWTYUPAGQXXBMV-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.95
Rot. Bonds9

About N-(furan-2-ylmethyl)-3-[[2-[(4-methoxyphenyl)methylamino]acetyl]amino]benzamide

N-(furan-2-ylmethyl)-3-[[2-[(4-methoxyphenyl)methylamino]acetyl]amino]benzamide (PubChem CID 54837825) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-[[2-[(4-methoxyphenyl)methylamino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-[[2-[(4-methoxyphenyl)methylamino]acetyl]amino]benzamide
PubChem CID54837825
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC NameN-(furan-2-ylmethyl)-3-[[2-[(4-methoxyphenyl)methylamino]acetyl]amino]benzamide
SMILESCOc1ccc(CNCC(=O)Nc2cccc(C(=O)NCc3ccco3)c2)cc1
InChIInChI=1S/C22H23N3O4/c1-28-19-9-7-16(8-10-19)13-23-15-21(26)25-18-5-2-4-17(12-18)22(27)24-14-20-6-3-11-29-20/h2-12,23H,13-15H2,1H3,(H,24,27)(H,25,26)
InChIKeyVWTYUPAGQXXBMV-UHFFFAOYSA-N
XLogP2.95
TPSA92.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-N-(2-methyl-4-(o-tolyldiazenyl)phenyl)furan-2-carboxamide
CID 2827423
JW 55
CID 2946601
Arylaminoethyl amide deriv. 17
CID 11419952
N-(4-(((4-(4-Methoxyphenyl)oxan-4-Yl)methyl)carbamoyl)phenyl)-5-Methylfuran-2-Carboxamide
CID 71622125
N-[3-acetamido-5-[(5-acetyl-2-ethoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 132275014
N-[3-(5-acetyl-2-ethoxyphenyl)-5-(2,5-dimethyl-3-oxo-1,2-oxazol-4-yl)phenyl]furan-2-carboxamide
CID 134812725
N-[3-(5-acetyl-2-ethoxyphenyl)-5-(2-ethyl-5-methyl-3-oxo-1,2-oxazol-4-yl)phenyl]furan-2-carboxamide
CID 134812727
N-[2-(4-Benzofuran-7-yl-piperazin-1-yl)-ethyl]-4-fluoro-benzamide
CID 9999042
N-[3-[[2-(diethylaminomethyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide
CID 152426927
N-(3-benzamidophenyl)furan-2-carboxamide
CID 825801
N-{2-Furan-2-yl-1-[(furan-2-ylmethyl)-carbamoyl]-vinyl}-benzamide
CID 5755140
1-(furan-2-carbonyl)-N-(4-methylphenyl)piperidine-4-carboxamide
CID 6463949

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-[[2-[(4-methoxyphenyl)methylamino]acetyl]amino]benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-[[2-[(4-methoxyphenyl)methylamino]acetyl]amino]benzamide (CID 54837825) is N-(furan-2-ylmethyl)-3-[[2-[(4-methoxyphenyl)methylamino]acetyl]amino]benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-[[2-[(4-methoxyphenyl)methylamino]acetyl]amino]benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-[[2-[(4-methoxyphenyl)methylamino]acetyl]amino]benzamide is COc1ccc(CNCC(=O)Nc2cccc(C(=O)NCc3ccco3)c2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-[[2-[(4-methoxyphenyl)methylamino]acetyl]amino]benzamide?
The InChIKey is VWTYUPAGQXXBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-28-19-9-7-16(8-10-19)13-23-15-21(26)25-18-5-2-4-17(12-18)22(27)24-14-20-6-3-11-29-20/h2-12,23H,13-15H2,1H3,(H,24,27)(H,25,26).
What are the key properties of N-(furan-2-ylmethyl)-3-[[2-[(4-methoxyphenyl)methylamino]acetyl]amino]benzamide?
N-(furan-2-ylmethyl)-3-[[2-[(4-methoxyphenyl)methylamino]acetyl]amino]benzamide has a molecular weight of 393.44 g/mol, XLogP of 2.95, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-[[2-[(4-methoxyphenyl)methylamino]acetyl]amino]benzamide is sourced from PubChem (CID 54837825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).