4-[[[2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide

C24H28N4O3 — CID 43061589

IUPAC4-[[[2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
SMILESCC(C#N)(NC(=O)CN(Cc1ccc(C(=O)NC2CC2)cc1)Cc1ccco1)C1CC1
InChIInChI=1S/C24H28N4O3/c1-24(16-25,19-8-9-19)27-22(29)15-28(14-21-3-2-12-31-21)13-17-4-6-18(7-5-17)23(30)26-20-10-11-20/h2-7,12,19-20H,8-11,13-15H2,1H3,(H,26,30)(H,27,29)
InChIKeyYNTWVEDSCKIJPU-UHFFFAOYSA-N
MW420.51 g/mol
LogP2.98
Rot. Bonds10

About 4-[[[2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide

4-[[[2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide (PubChem CID 43061589) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 4-[[[2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name4-[[[2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
PubChem CID43061589
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name4-[[[2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
SMILESCC(C#N)(NC(=O)CN(Cc1ccc(C(=O)NC2CC2)cc1)Cc1ccco1)C1CC1
InChIInChI=1S/C24H28N4O3/c1-24(16-25,19-8-9-19)27-22(29)15-28(14-21-3-2-12-31-21)13-17-4-6-18(7-5-17)23(30)26-20-10-11-20/h2-7,12,19-20H,8-11,13-15H2,1H3,(H,26,30)(H,27,29)
InChIKeyYNTWVEDSCKIJPU-UHFFFAOYSA-N
XLogP2.98
TPSA98.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[[2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide with MolForge

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Related Compounds

4-[[(2-amino-2-oxoethyl)-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
CID 34943139
N-cyclopropyl-4-[[furan-2-ylmethyl-[(4-nitrophenyl)methyl]amino]methyl]benzamide
CID 33216162
N-cyclopropyl-4-[[furan-2-ylmethyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]methyl]benzamide
CID 55591604
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[cyclopentyl(furan-2-ylmethyl)amino]acetamide
CID 94417458
ethyl 4-[2-[[4-(cyclopropylcarbamoyl)phenyl]methyl-(furan-2-ylmethyl)amino]acetyl]piperazine-1-carboxylate
CID 34215828
4-[[[2-(2-bromoanilino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
CID 34943710
2-[[2-[[4-(cyclopropylcarbamoyl)phenyl]methyl-(furan-2-ylmethyl)amino]acetyl]amino]thiophene-3-carboxamide
CID 34943884
N-cyclopropyl-4-[[furan-2-ylmethyl-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]methyl]benzamide
CID 30798285
4-[[(2-bromophenyl)methyl-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
CID 34215979
N-cyclopropyl-4-[[(2-fluorophenyl)methyl-(furan-2-ylmethyl)amino]methyl]benzamide
CID 30891357
N-cyclopropyl-4-[[[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]benzamide
CID 34944479
N-cyclopropyl-4-[[[2-(3,4-dimethoxyanilino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]benzamide
CID 30798231

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide?
The IUPAC name of 4-[[[2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide (CID 43061589) is 4-[[[2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide.
What is the SMILES notation for 4-[[[2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide?
The canonical SMILES for 4-[[[2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide is CC(C#N)(NC(=O)CN(Cc1ccc(C(=O)NC2CC2)cc1)Cc1ccco1)C1CC1.
What is the InChIKey of 4-[[[2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide?
The InChIKey is YNTWVEDSCKIJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-24(16-25,19-8-9-19)27-22(29)15-28(14-21-3-2-12-31-21)13-17-4-6-18(7-5-17)23(30)26-20-10-11-20/h2-7,12,19-20H,8-11,13-15H2,1H3,(H,26,30)(H,27,29).
What are the key properties of 4-[[[2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide?
4-[[[2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide has a molecular weight of 420.51 g/mol, XLogP of 2.98, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide is sourced from PubChem (CID 43061589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).