N-[2-(2,5-dimethylanilino)-2-oxoethyl]-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-methylacetamide

C24H27N3O3 — CID 8755860

IUPACN-[2-(2,5-dimethylanilino)-2-oxoethyl]-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-methylacetamide
SMILESCc1ccc(C)c(NC(=O)CN(C)C(=O)CN[C@H](c2ccccc2)c2ccco2)c1
InChIInChI=1S/C24H27N3O3/c1-17-11-12-18(2)20(14-17)26-22(28)16-27(3)23(29)15-25-24(21-10-7-13-30-21)19-8-5-4-6-9-19/h4-14,24-25H,15-16H2,1-3H3,(H,26,28)/t24-/m1/s1
InChIKeyCQMYQECYDJNLRH-XMMPIXPASA-N
MW405.50 g/mol
LogP3.67
Rot. Bonds8

About N-[2-(2,5-dimethylanilino)-2-oxoethyl]-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-methylacetamide

N-[2-(2,5-dimethylanilino)-2-oxoethyl]-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-methylacetamide (PubChem CID 8755860) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[2-(2,5-dimethylanilino)-2-oxoethyl]-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethylanilino)-2-oxoethyl]-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-methylacetamide
PubChem CID8755860
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC NameN-[2-(2,5-dimethylanilino)-2-oxoethyl]-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-methylacetamide
SMILESCc1ccc(C)c(NC(=O)CN(C)C(=O)CN[C@H](c2ccccc2)c2ccco2)c1
InChIInChI=1S/C24H27N3O3/c1-17-11-12-18(2)20(14-17)26-22(28)16-27(3)23(29)15-25-24(21-10-7-13-30-21)19-8-5-4-6-9-19/h4-14,24-25H,15-16H2,1-3H3,(H,26,28)/t24-/m1/s1
InChIKeyCQMYQECYDJNLRH-XMMPIXPASA-N
XLogP3.67
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(2,5-dimethylanilino)-2-oxoethyl]-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-methylacetamide 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-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-methylacetamide
CID 8756094
N-(2,4-dimethylphenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8696064
benzhydryl-[2-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium
CID 9035467
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylacetamide
CID 9043922
2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-naphthalen-1-ylacetamide
CID 8695978
2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-(2-phenylphenyl)acetamide
CID 8755106
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-methylacetamide
CID 8921277
2-(2,6-dichlorophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylacetamide
CID 2672667
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8756278
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-methylacetamide
CID 8921583
N-(2-benzylphenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8755114
N-(2,5-dimethylphenyl)-2-[methyl-(2-naphthalen-2-ylsulfanylacetyl)amino]acetamide
CID 9041125

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethylanilino)-2-oxoethyl]-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-methylacetamide?
The IUPAC name of N-[2-(2,5-dimethylanilino)-2-oxoethyl]-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-methylacetamide (CID 8755860) is N-[2-(2,5-dimethylanilino)-2-oxoethyl]-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-methylacetamide.
What is the SMILES notation for N-[2-(2,5-dimethylanilino)-2-oxoethyl]-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-methylacetamide?
The canonical SMILES for N-[2-(2,5-dimethylanilino)-2-oxoethyl]-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-methylacetamide is Cc1ccc(C)c(NC(=O)CN(C)C(=O)CN[C@H](c2ccccc2)c2ccco2)c1.
What is the InChIKey of N-[2-(2,5-dimethylanilino)-2-oxoethyl]-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-methylacetamide?
The InChIKey is CQMYQECYDJNLRH-XMMPIXPASA-N. The full InChI is InChI=1S/C24H27N3O3/c1-17-11-12-18(2)20(14-17)26-22(28)16-27(3)23(29)15-25-24(21-10-7-13-30-21)19-8-5-4-6-9-19/h4-14,24-25H,15-16H2,1-3H3,(H,26,28)/t24-/m1/s1.
What are the key properties of N-[2-(2,5-dimethylanilino)-2-oxoethyl]-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-methylacetamide?
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-methylacetamide has a molecular weight of 405.50 g/mol, XLogP of 3.67, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethylanilino)-2-oxoethyl]-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-methylacetamide is sourced from PubChem (CID 8755860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).