N-[2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(2-methoxyphenyl)furan-2-carboxamide

C27H30N2O5 — CID 3191344

IUPACN-[2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(2-methoxyphenyl)furan-2-carboxamide
SMILESCOc1cccc(C(C(=O)NC2CCCCC2)N(C(=O)c2ccco2)c2ccccc2OC)c1
InChIInChI=1S/C27H30N2O5/c1-32-21-13-8-10-19(18-21)25(26(30)28-20-11-4-3-5-12-20)29(27(31)24-16-9-17-34-24)22-14-6-7-15-23(22)33-2/h6-10,13-18,20,25H,3-5,11-12H2,1-2H3,(H,28,30)
InChIKeyLKVCFKYWKYSOLL-UHFFFAOYSA-N
MW462.55 g/mol
LogP5.13
Rot. Bonds8

About N-[2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(2-methoxyphenyl)furan-2-carboxamide

N-[2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(2-methoxyphenyl)furan-2-carboxamide (PubChem CID 3191344) has the molecular formula C27H30N2O5 and a molecular weight of 462.55 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(2-methoxyphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(2-methoxyphenyl)furan-2-carboxamide
PubChem CID3191344
Molecular FormulaC27H30N2O5
Molecular Weight462.55 g/mol
Exact Mass462.22
IUPAC NameN-[2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(2-methoxyphenyl)furan-2-carboxamide
SMILESCOc1cccc(C(C(=O)NC2CCCCC2)N(C(=O)c2ccco2)c2ccccc2OC)c1
InChIInChI=1S/C27H30N2O5/c1-32-21-13-8-10-19(18-21)25(26(30)28-20-11-4-3-5-12-20)29(27(31)24-16-9-17-34-24)22-14-6-7-15-23(22)33-2/h6-10,13-18,20,25H,3-5,11-12H2,1-2H3,(H,28,30)
InChIKeyLKVCFKYWKYSOLL-UHFFFAOYSA-N
XLogP5.13
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.55
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(2-methoxyphenyl)furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(2-methoxyphenyl)furan-2-carboxamide?
The IUPAC name of N-[2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(2-methoxyphenyl)furan-2-carboxamide (CID 3191344) is N-[2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(2-methoxyphenyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(2-methoxyphenyl)furan-2-carboxamide?
The canonical SMILES for N-[2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(2-methoxyphenyl)furan-2-carboxamide is COc1cccc(C(C(=O)NC2CCCCC2)N(C(=O)c2ccco2)c2ccccc2OC)c1.
What is the InChIKey of N-[2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(2-methoxyphenyl)furan-2-carboxamide?
The InChIKey is LKVCFKYWKYSOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O5/c1-32-21-13-8-10-19(18-21)25(26(30)28-20-11-4-3-5-12-20)29(27(31)24-16-9-17-34-24)22-14-6-7-15-23(22)33-2/h6-10,13-18,20,25H,3-5,11-12H2,1-2H3,(H,28,30).
What are the key properties of N-[2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(2-methoxyphenyl)furan-2-carboxamide?
N-[2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(2-methoxyphenyl)furan-2-carboxamide has a molecular weight of 462.55 g/mol, XLogP of 5.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(2-methoxyphenyl)furan-2-carboxamide is sourced from PubChem (CID 3191344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).