N-(3-cyano-4,5-diphenylfuran-2-yl)-3-(4-methylphenoxy)propanamide

C27H22N2O3 — CID 108802771

IUPACN-(3-cyano-4,5-diphenylfuran-2-yl)-3-(4-methylphenoxy)propanamide
SMILESCc1ccc(OCCC(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1
InChIInChI=1S/C27H22N2O3/c1-19-12-14-22(15-13-19)31-17-16-24(30)29-27-23(18-28)25(20-8-4-2-5-9-20)26(32-27)21-10-6-3-7-11-21/h2-15H,16-17H2,1H3,(H,29,30)
InChIKeyYCQLZCSZUCXHHQ-UHFFFAOYSA-N
MW422.48 g/mol
LogP6.20
Rot. Bonds7

About N-(3-cyano-4,5-diphenylfuran-2-yl)-3-(4-methylphenoxy)propanamide

N-(3-cyano-4,5-diphenylfuran-2-yl)-3-(4-methylphenoxy)propanamide (PubChem CID 108802771) has the molecular formula C27H22N2O3 and a molecular weight of 422.48 g/mol. Its IUPAC name is N-(3-cyano-4,5-diphenylfuran-2-yl)-3-(4-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-diphenylfuran-2-yl)-3-(4-methylphenoxy)propanamide
PubChem CID108802771
Molecular FormulaC27H22N2O3
Molecular Weight422.48 g/mol
Exact Mass422.16
IUPAC NameN-(3-cyano-4,5-diphenylfuran-2-yl)-3-(4-methylphenoxy)propanamide
SMILESCc1ccc(OCCC(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1
InChIInChI=1S/C27H22N2O3/c1-19-12-14-22(15-13-19)31-17-16-24(30)29-27-23(18-28)25(20-8-4-2-5-9-20)26(32-27)21-10-6-3-7-11-21/h2-15H,16-17H2,1H3,(H,29,30)
InChIKeyYCQLZCSZUCXHHQ-UHFFFAOYSA-N
XLogP6.20
TPSA75.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.48
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-chlorophenoxy)-N-(3-cyano-4,5-diphenylfuran-2-yl)propanamide
CID 108802318
N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(3,4-dimethylphenoxy)acetamide
CID 108757727
N-(3-cyano-4,5-diphenylfuran-2-yl)-4-methylbenzamide
CID 108757664
2-chloro-N-(3-cyano-4,5-diphenylfuran-2-yl)acetamide
CID 3550941
(2R)-N-[3-cyano-4,5-bis(4-methylphenyl)furan-2-yl]-2-phenoxypropanamide
CID 2422827
(2S)-N-[3-cyano-4,5-bis(4-methylphenyl)furan-2-yl]-2-phenoxypropanamide
CID 2422829
[2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl] 4-methoxybenzoate
CID 23993962
N-(3-cyano-4,5-diphenylfuran-2-yl)-2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyacetamide
CID 46303348
N-(3-cyano-4,5-diphenylfuran-2-yl)-2-phenylsulfanylacetamide
CID 2234351
[2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 2475392
3-(4-methylphenoxy)-N-(4-phenylphenyl)propanamide
CID 18276176
4-chloro-N-[2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl]benzamide
CID 108757677

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-diphenylfuran-2-yl)-3-(4-methylphenoxy)propanamide?
The IUPAC name of N-(3-cyano-4,5-diphenylfuran-2-yl)-3-(4-methylphenoxy)propanamide (CID 108802771) is N-(3-cyano-4,5-diphenylfuran-2-yl)-3-(4-methylphenoxy)propanamide.
What is the SMILES notation for N-(3-cyano-4,5-diphenylfuran-2-yl)-3-(4-methylphenoxy)propanamide?
The canonical SMILES for N-(3-cyano-4,5-diphenylfuran-2-yl)-3-(4-methylphenoxy)propanamide is Cc1ccc(OCCC(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1.
What is the InChIKey of N-(3-cyano-4,5-diphenylfuran-2-yl)-3-(4-methylphenoxy)propanamide?
The InChIKey is YCQLZCSZUCXHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O3/c1-19-12-14-22(15-13-19)31-17-16-24(30)29-27-23(18-28)25(20-8-4-2-5-9-20)26(32-27)21-10-6-3-7-11-21/h2-15H,16-17H2,1H3,(H,29,30).
What are the key properties of N-(3-cyano-4,5-diphenylfuran-2-yl)-3-(4-methylphenoxy)propanamide?
N-(3-cyano-4,5-diphenylfuran-2-yl)-3-(4-methylphenoxy)propanamide has a molecular weight of 422.48 g/mol, XLogP of 6.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-diphenylfuran-2-yl)-3-(4-methylphenoxy)propanamide is sourced from PubChem (CID 108802771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).