2-[[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-N-(2,3-dimethylphenyl)acetamide

C23H30N4O4 — CID 24534474

IUPAC2-[[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-N-(2,3-dimethylphenyl)acetamide
SMILESCOCCN(CC(=O)Nc1cccc(C)c1C)CC(=O)N(CCC#N)Cc1ccco1
InChIInChI=1S/C23H30N4O4/c1-18-7-4-9-21(19(18)2)25-22(28)16-26(12-14-30-3)17-23(29)27(11-6-10-24)15-20-8-5-13-31-20/h4-5,7-9,13H,6,11-12,14-17H2,1-3H3,(H,25,28)
InChIKeyKFFYWBBSDGOWDQ-UHFFFAOYSA-N
MW426.52 g/mol
LogP2.73
Rot. Bonds12

About 2-[[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-N-(2,3-dimethylphenyl)acetamide

2-[[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-N-(2,3-dimethylphenyl)acetamide (PubChem CID 24534474) has the molecular formula C23H30N4O4 and a molecular weight of 426.52 g/mol. Its IUPAC name is 2-[[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-N-(2,3-dimethylphenyl)acetamide
PubChem CID24534474
Molecular FormulaC23H30N4O4
Molecular Weight426.52 g/mol
Exact Mass426.23
IUPAC Name2-[[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-N-(2,3-dimethylphenyl)acetamide
SMILESCOCCN(CC(=O)Nc1cccc(C)c1C)CC(=O)N(CCC#N)Cc1ccco1
InChIInChI=1S/C23H30N4O4/c1-18-7-4-9-21(19(18)2)25-22(28)16-26(12-14-30-3)17-23(29)27(11-6-10-24)15-20-8-5-13-31-20/h4-5,7-9,13H,6,11-12,14-17H2,1-3H3,(H,25,28)
InChIKeyKFFYWBBSDGOWDQ-UHFFFAOYSA-N
XLogP2.73
TPSA98.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-N-(2,3-dimethylphenyl)acetamide with MolForge

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Related Compounds

N-(2-chlorophenyl)-2-[[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-methylamino]acetamide
CID 8843259
N-(2-cyanoethyl)-2-(2,6-dimethylanilino)-N-(furan-2-ylmethyl)acetamide
CID 86910776
2-[[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 8622273
2-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide
CID 63679913
N-(2,3-dimethylphenyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8677595
N-(2,3-dimethylphenyl)-2-[2-methoxyethyl-[2-oxo-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethyl]amino]acetamide
CID 24534471
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide
CID 60520035
2-[2-cyanoethyl(furan-2-ylmethyl)amino]-N-(3,5-dimethoxyphenyl)acetamide
CID 78822926
N-cyclohexyl-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-(2-methoxyethyl)amino]acetamide
CID 17412870
2-(tert-butylamino)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide
CID 78923666
N-(5-chloro-2-methoxyphenyl)-2-[2-cyanoethyl(furan-2-ylmethyl)amino]acetamide
CID 78823068
N-(2,3-dimethylphenyl)-2-[2-methoxyethyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide
CID 17499316

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of 2-[[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-N-(2,3-dimethylphenyl)acetamide (CID 24534474) is 2-[[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for 2-[[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-N-(2,3-dimethylphenyl)acetamide is COCCN(CC(=O)Nc1cccc(C)c1C)CC(=O)N(CCC#N)Cc1ccco1.
What is the InChIKey of 2-[[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is KFFYWBBSDGOWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O4/c1-18-7-4-9-21(19(18)2)25-22(28)16-26(12-14-30-3)17-23(29)27(11-6-10-24)15-20-8-5-13-31-20/h4-5,7-9,13H,6,11-12,14-17H2,1-3H3,(H,25,28).
What are the key properties of 2-[[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-N-(2,3-dimethylphenyl)acetamide?
2-[[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 426.52 g/mol, XLogP of 2.73, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-N-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 24534474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).