2-[[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetyl]-methylamino]-N-(4-methylphenyl)acetamide

C22H26FN3O2 — CID 8905627

IUPAC2-[[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetyl]-methylamino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)CN(Cc2ccc(F)cc2)C2CC2)cc1
InChIInChI=1S/C22H26FN3O2/c1-16-3-9-19(10-4-16)24-21(27)14-25(2)22(28)15-26(20-11-12-20)13-17-5-7-18(23)8-6-17/h3-10,20H,11-15H2,1-2H3,(H,24,27)
InChIKeyAELQMCYVANHEPA-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.20
Rot. Bonds8

About 2-[[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetyl]-methylamino]-N-(4-methylphenyl)acetamide

2-[[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetyl]-methylamino]-N-(4-methylphenyl)acetamide (PubChem CID 8905627) has the molecular formula C22H26FN3O2 and a molecular weight of 383.47 g/mol. Its IUPAC name is 2-[[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetyl]-methylamino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetyl]-methylamino]-N-(4-methylphenyl)acetamide
PubChem CID8905627
Molecular FormulaC22H26FN3O2
Molecular Weight383.47 g/mol
Exact Mass383.20
IUPAC Name2-[[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetyl]-methylamino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)CN(Cc2ccc(F)cc2)C2CC2)cc1
InChIInChI=1S/C22H26FN3O2/c1-16-3-9-19(10-4-16)24-21(27)14-25(2)22(28)15-26(20-11-12-20)13-17-5-7-18(23)8-6-17/h3-10,20H,11-15H2,1-2H3,(H,24,27)
InChIKeyAELQMCYVANHEPA-UHFFFAOYSA-N
XLogP3.20
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(4-methylphenyl)acetamide
CID 8872677
2-[[2-[cyclopropyl-[(4-ethylphenyl)methyl]amino]acetyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 55682363
2-[(4-chlorophenyl)methyl-cyclopropylamino]-N-(4-methylphenyl)acetamide
CID 60514622
2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-[(4-methylphenyl)methyl]acetamide
CID 27119187
2-[cyclopropyl(methyl)amino]-N-(4-fluorophenyl)acetamide
CID 47166447
2-[methyl-[2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetyl]amino]-N-(4-methylphenyl)acetamide
CID 9028197
2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N-(4-methylphenyl)acetamide
CID 60516285
N-cyclopropyl-4-[[cyclopropyl-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]amino]methyl]benzamide
CID 78847973
2-[methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
CID 40696364
N-(3-chlorophenyl)-2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetamide
CID 8872555
3-[[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetyl]amino]-N-methylbenzamide
CID 8906749
2-[cyclopropyl(2-hydroxyethyl)amino]-N-(4-methylphenyl)acetamide
CID 60509867

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetyl]-methylamino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetyl]-methylamino]-N-(4-methylphenyl)acetamide (CID 8905627) is 2-[[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetyl]-methylamino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetyl]-methylamino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetyl]-methylamino]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN(C)C(=O)CN(Cc2ccc(F)cc2)C2CC2)cc1.
What is the InChIKey of 2-[[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetyl]-methylamino]-N-(4-methylphenyl)acetamide?
The InChIKey is AELQMCYVANHEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O2/c1-16-3-9-19(10-4-16)24-21(27)14-25(2)22(28)15-26(20-11-12-20)13-17-5-7-18(23)8-6-17/h3-10,20H,11-15H2,1-2H3,(H,24,27).
What are the key properties of 2-[[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetyl]-methylamino]-N-(4-methylphenyl)acetamide?
2-[[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetyl]-methylamino]-N-(4-methylphenyl)acetamide has a molecular weight of 383.47 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetyl]-methylamino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 8905627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).