2-[methyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]amino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide

C22H27N3O3 — CID 42927357

IUPAC2-[methyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]amino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESCC1CC1c1ccc(CN(C)CC(=O)Nc2cccc(N3CCCC3=O)c2)o1
InChIInChI=1S/C22H27N3O3/c1-15-11-19(15)20-9-8-18(28-20)13-24(2)14-21(26)23-16-5-3-6-17(12-16)25-10-4-7-22(25)27/h3,5-6,8-9,12,15,19H,4,7,10-11,13-14H2,1-2H3,(H,23,26)
InChIKeyVIGJOOBFSQPBRC-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.60
Rot. Bonds7

About 2-[methyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]amino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide

2-[methyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]amino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide (PubChem CID 42927357) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-[methyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]amino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[methyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]amino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
PubChem CID42927357
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name2-[methyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]amino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESCC1CC1c1ccc(CN(C)CC(=O)Nc2cccc(N3CCCC3=O)c2)o1
InChIInChI=1S/C22H27N3O3/c1-15-11-19(15)20-9-8-18(28-20)13-24(2)14-21(26)23-16-5-3-6-17(12-16)25-10-4-7-22(25)27/h3,5-6,8-9,12,15,19H,4,7,10-11,13-14H2,1-2H3,(H,23,26)
InChIKeyVIGJOOBFSQPBRC-UHFFFAOYSA-N
XLogP3.60
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[methyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]amino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide with MolForge

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Related Compounds

2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 41380914
2-[methyl-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]-N-(3-methylsulfonylphenyl)acetamide
CID 41416990
2-[methyl-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]amino]-N-(3-methylsulfonylphenyl)acetamide
CID 41416992
2-[methyl-(4-methylcyclohexyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 51286691
2-[(3-chlorophenyl)methyl-methylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 41334479
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 36680308
cis-(1R,2S)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide
CID 51462133
N,N-dimethyl-4-[[2-[methyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]amino]acetyl]amino]benzamide
CID 17403292
2-[2-methylpropyl(propan-2-yl)amino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 36963101
2-[cyclopropyl(3-methylbutyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 34412666
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 31716980
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2,2-dimethylpropanoate
CID 7686879

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]amino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The IUPAC name of 2-[methyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]amino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide (CID 42927357) is 2-[methyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]amino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-[methyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]amino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-[methyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]amino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide is CC1CC1c1ccc(CN(C)CC(=O)Nc2cccc(N3CCCC3=O)c2)o1.
What is the InChIKey of 2-[methyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]amino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The InChIKey is VIGJOOBFSQPBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-15-11-19(15)20-9-8-18(28-20)13-24(2)14-21(26)23-16-5-3-6-17(12-16)25-10-4-7-22(25)27/h3,5-6,8-9,12,15,19H,4,7,10-11,13-14H2,1-2H3,(H,23,26).
What are the key properties of 2-[methyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]amino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
2-[methyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]amino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide has a molecular weight of 381.48 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]amino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 42927357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).