[2-[[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]amino]-2-oxoethyl] 2-(4-chlorophenoxy)propanoate

C30H25ClN2O7 — CID 23827034

IUPAC[2-[[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]amino]-2-oxoethyl] 2-(4-chlorophenoxy)propanoate
SMILESCOc1ccc(-c2oc(NC(=O)COC(=O)C(C)Oc3ccc(Cl)cc3)c(C#N)c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C30H25ClN2O7/c1-18(39-24-14-8-21(31)9-15-24)30(35)38-17-26(34)33-29-25(16-32)27(19-4-10-22(36-2)11-5-19)28(40-29)20-6-12-23(37-3)13-7-20/h4-15,18H,17H2,1-3H3,(H,33,34)
InChIKeyRAPYSSULCAWYDY-UHFFFAOYSA-N
MW560.99 g/mol
LogP6.11
Rot. Bonds10

About [2-[[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]amino]-2-oxoethyl] 2-(4-chlorophenoxy)propanoate

[2-[[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]amino]-2-oxoethyl] 2-(4-chlorophenoxy)propanoate (PubChem CID 23827034) has the molecular formula C30H25ClN2O7 and a molecular weight of 560.99 g/mol. Its IUPAC name is [2-[[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]amino]-2-oxoethyl] 2-(4-chlorophenoxy)propanoate.

Molecular Properties

Compound Name[2-[[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]amino]-2-oxoethyl] 2-(4-chlorophenoxy)propanoate
PubChem CID23827034
Molecular FormulaC30H25ClN2O7
Molecular Weight560.99 g/mol
Exact Mass560.14
IUPAC Name[2-[[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]amino]-2-oxoethyl] 2-(4-chlorophenoxy)propanoate
SMILESCOc1ccc(-c2oc(NC(=O)COC(=O)C(C)Oc3ccc(Cl)cc3)c(C#N)c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C30H25ClN2O7/c1-18(39-24-14-8-21(31)9-15-24)30(35)38-17-26(34)33-29-25(16-32)27(19-4-10-22(36-2)11-5-19)28(40-29)20-6-12-23(37-3)13-7-20/h4-15,18H,17H2,1-3H3,(H,33,34)
InChIKeyRAPYSSULCAWYDY-UHFFFAOYSA-N
XLogP6.11
TPSA120.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.99
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [2-[[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]amino]-2-oxoethyl] 2-(4-chlorophenoxy)propanoate with MolForge

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Related Compounds

[2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl] 4-methoxybenzoate
CID 23993962
[2-[[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]amino]-2-oxoethyl] (2S)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoate
CID 98386005
[2-[[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 23904915
[2-[[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]amino]-2-oxoethyl] 2-(1-adamantyl)acetate
CID 23993077
[2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 2475392
[2-[[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]amino]-2-oxoethyl] (2S)-5-oxopyrrolidine-2-carboxylate
CID 41114802
[2-[[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]amino]-2-oxoethyl] 2-(3-bromophenoxy)acetate
CID 23907590
(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
N-(3-cyano-4,5-diphenylfuran-2-yl)-2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyacetamide
CID 46303348
[2-(4-methoxyanilino)-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7984107
[2-(4-acetamidoanilino)-2-oxoethyl] (2S)-2-(4-chlorophenoxy)propanoate
CID 8868039

Frequently Asked Questions

What is the IUPAC name of [2-[[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]amino]-2-oxoethyl] 2-(4-chlorophenoxy)propanoate?
The IUPAC name of [2-[[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]amino]-2-oxoethyl] 2-(4-chlorophenoxy)propanoate (CID 23827034) is [2-[[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]amino]-2-oxoethyl] 2-(4-chlorophenoxy)propanoate.
What is the SMILES notation for [2-[[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]amino]-2-oxoethyl] 2-(4-chlorophenoxy)propanoate?
The canonical SMILES for [2-[[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]amino]-2-oxoethyl] 2-(4-chlorophenoxy)propanoate is COc1ccc(-c2oc(NC(=O)COC(=O)C(C)Oc3ccc(Cl)cc3)c(C#N)c2-c2ccc(OC)cc2)cc1.
What is the InChIKey of [2-[[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]amino]-2-oxoethyl] 2-(4-chlorophenoxy)propanoate?
The InChIKey is RAPYSSULCAWYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25ClN2O7/c1-18(39-24-14-8-21(31)9-15-24)30(35)38-17-26(34)33-29-25(16-32)27(19-4-10-22(36-2)11-5-19)28(40-29)20-6-12-23(37-3)13-7-20/h4-15,18H,17H2,1-3H3,(H,33,34).
What are the key properties of [2-[[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]amino]-2-oxoethyl] 2-(4-chlorophenoxy)propanoate?
[2-[[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]amino]-2-oxoethyl] 2-(4-chlorophenoxy)propanoate has a molecular weight of 560.99 g/mol, XLogP of 6.11, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]amino]-2-oxoethyl] 2-(4-chlorophenoxy)propanoate is sourced from PubChem (CID 23827034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).