N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-[5-(4-methoxyphenyl)furan-2-yl]-N-methylpropanamide

C25H28N2O4 — CID 27006741

IUPACN-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-[5-(4-methoxyphenyl)furan-2-yl]-N-methylpropanamide
SMILESCOc1ccc(-c2ccc(CCC(=O)N(C)CC(=O)Nc3c(C)cccc3C)o2)cc1
InChIInChI=1S/C25H28N2O4/c1-17-6-5-7-18(2)25(17)26-23(28)16-27(3)24(29)15-13-21-12-14-22(31-21)19-8-10-20(30-4)11-9-19/h5-12,14H,13,15-16H2,1-4H3,(H,26,28)
InChIKeyNNICTADSCQSJTN-UHFFFAOYSA-N
MW420.51 g/mol
LogP4.60
Rot. Bonds8

About N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-[5-(4-methoxyphenyl)furan-2-yl]-N-methylpropanamide

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-[5-(4-methoxyphenyl)furan-2-yl]-N-methylpropanamide (PubChem CID 27006741) has the molecular formula C25H28N2O4 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-[5-(4-methoxyphenyl)furan-2-yl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-[5-(4-methoxyphenyl)furan-2-yl]-N-methylpropanamide
PubChem CID27006741
Molecular FormulaC25H28N2O4
Molecular Weight420.51 g/mol
Exact Mass420.20
IUPAC NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-[5-(4-methoxyphenyl)furan-2-yl]-N-methylpropanamide
SMILESCOc1ccc(-c2ccc(CCC(=O)N(C)CC(=O)Nc3c(C)cccc3C)o2)cc1
InChIInChI=1S/C25H28N2O4/c1-17-6-5-7-18(2)25(17)26-23(28)16-27(3)24(29)15-13-21-12-14-22(31-21)19-8-10-20(30-4)11-9-19/h5-12,14H,13,15-16H2,1-4H3,(H,26,28)
InChIKeyNNICTADSCQSJTN-UHFFFAOYSA-N
XLogP4.60
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-[5-(4-methoxyphenyl)furan-2-yl]-N-methylpropanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[5-(4-methoxyphenyl)furan-2-yl]-N-methylpropanamide
CID 42921735
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 9089002
N-(3,5-dimethylphenyl)-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide
CID 22587459
N-(2,6-dimethylphenyl)-2-[methyl-[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 9437519
3-[5-(4-methoxyphenyl)furan-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 24524663
3-[5-(4-methoxyphenyl)furan-2-yl]-N-propylpropanamide
CID 22587421
N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide
CID 24524957
3-(3,5-dimethoxyphenyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide
CID 9093129
4-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbutanamide
CID 119267877
N-(2-methoxy-5-methylphenyl)-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide
CID 24524655
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(2-methylphenoxy)propanamide
CID 9437503
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-thiophen-3-ylpropanamide
CID 30492683

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-[5-(4-methoxyphenyl)furan-2-yl]-N-methylpropanamide?
The IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-[5-(4-methoxyphenyl)furan-2-yl]-N-methylpropanamide (CID 27006741) is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-[5-(4-methoxyphenyl)furan-2-yl]-N-methylpropanamide.
What is the SMILES notation for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-[5-(4-methoxyphenyl)furan-2-yl]-N-methylpropanamide?
The canonical SMILES for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-[5-(4-methoxyphenyl)furan-2-yl]-N-methylpropanamide is COc1ccc(-c2ccc(CCC(=O)N(C)CC(=O)Nc3c(C)cccc3C)o2)cc1.
What is the InChIKey of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-[5-(4-methoxyphenyl)furan-2-yl]-N-methylpropanamide?
The InChIKey is NNICTADSCQSJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4/c1-17-6-5-7-18(2)25(17)26-23(28)16-27(3)24(29)15-13-21-12-14-22(31-21)19-8-10-20(30-4)11-9-19/h5-12,14H,13,15-16H2,1-4H3,(H,26,28).
What are the key properties of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-[5-(4-methoxyphenyl)furan-2-yl]-N-methylpropanamide?
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-[5-(4-methoxyphenyl)furan-2-yl]-N-methylpropanamide has a molecular weight of 420.51 g/mol, XLogP of 4.60, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-[5-(4-methoxyphenyl)furan-2-yl]-N-methylpropanamide is sourced from PubChem (CID 27006741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).