2-(benzhydrylamino)-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide

C22H21N3O2 — CID 42126507

IUPAC2-(benzhydrylamino)-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide
SMILESCc1oc(NC(=O)CNC(c2ccccc2)c2ccccc2)c(C#N)c1C
InChIInChI=1S/C22H21N3O2/c1-15-16(2)27-22(19(15)13-23)25-20(26)14-24-21(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,21,24H,14H2,1-2H3,(H,25,26)
InChIKeyCMJZMUBGRYGFDI-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.09
Rot. Bonds6

About 2-(benzhydrylamino)-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide

2-(benzhydrylamino)-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide (PubChem CID 42126507) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-(benzhydrylamino)-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide.

Molecular Properties

Compound Name2-(benzhydrylamino)-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide
PubChem CID42126507
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name2-(benzhydrylamino)-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide
SMILESCc1oc(NC(=O)CNC(c2ccccc2)c2ccccc2)c(C#N)c1C
InChIInChI=1S/C22H21N3O2/c1-15-16(2)27-22(19(15)13-23)25-20(26)14-24-21(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,21,24H,14H2,1-2H3,(H,25,26)
InChIKeyCMJZMUBGRYGFDI-UHFFFAOYSA-N
XLogP4.09
TPSA78.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzenesulfonyl)-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide
CID 9458920
2-[[2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoethyl]amino]acetic acid
CID 43465994
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-naphthalen-1-ylsulfanylacetamide
CID 9458317
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-naphthalen-1-ylacetamide
CID 108740257
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(3-propan-2-ylphenoxy)acetamide
CID 108740197
2-[[2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoethyl]amino]-2-methylbutanoic acid
CID 79789579
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-iodobenzamide
CID 108762743
N-(2-cyanophenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392611
2-[[2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 43054288
N-(3-cyano-4,5-dimethylfuran-2-yl)-11-(1,3-dioxoisoindol-2-yl)undecanamide
CID 108762791
2-(benzhydrylamino)-N-(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)acetamide
CID 24561907
(2R)-2-amino-3-[2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoethyl]sulfanylpropanoic acid
CID 61146954

Frequently Asked Questions

What is the IUPAC name of 2-(benzhydrylamino)-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide?
The IUPAC name of 2-(benzhydrylamino)-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide (CID 42126507) is 2-(benzhydrylamino)-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide.
What is the SMILES notation for 2-(benzhydrylamino)-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide?
The canonical SMILES for 2-(benzhydrylamino)-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide is Cc1oc(NC(=O)CNC(c2ccccc2)c2ccccc2)c(C#N)c1C.
What is the InChIKey of 2-(benzhydrylamino)-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide?
The InChIKey is CMJZMUBGRYGFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-15-16(2)27-22(19(15)13-23)25-20(26)14-24-21(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,21,24H,14H2,1-2H3,(H,25,26).
What are the key properties of 2-(benzhydrylamino)-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide?
2-(benzhydrylamino)-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide has a molecular weight of 359.43 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzhydrylamino)-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide is sourced from PubChem (CID 42126507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).