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

C24H31N3O2 — CID 55682363

IUPAC2-[[2-[cyclopropyl-[(4-ethylphenyl)methyl]amino]acetyl]-methylamino]-N-(4-methylphenyl)acetamide
SMILESCCc1ccc(CN(CC(=O)N(C)CC(=O)Nc2ccc(C)cc2)C2CC2)cc1
InChIInChI=1S/C24H31N3O2/c1-4-19-7-9-20(10-8-19)15-27(22-13-14-22)17-24(29)26(3)16-23(28)25-21-11-5-18(2)6-12-21/h5-12,22H,4,13-17H2,1-3H3,(H,25,28)
InChIKeyANPUBKUCGZATBN-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.62
Rot. Bonds9

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

2-[[2-[cyclopropyl-[(4-ethylphenyl)methyl]amino]acetyl]-methylamino]-N-(4-methylphenyl)acetamide (PubChem CID 55682363) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 2-[[2-[cyclopropyl-[(4-ethylphenyl)methyl]amino]acetyl]-methylamino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[cyclopropyl-[(4-ethylphenyl)methyl]amino]acetyl]-methylamino]-N-(4-methylphenyl)acetamide
PubChem CID55682363
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name2-[[2-[cyclopropyl-[(4-ethylphenyl)methyl]amino]acetyl]-methylamino]-N-(4-methylphenyl)acetamide
SMILESCCc1ccc(CN(CC(=O)N(C)CC(=O)Nc2ccc(C)cc2)C2CC2)cc1
InChIInChI=1S/C24H31N3O2/c1-4-19-7-9-20(10-8-19)15-27(22-13-14-22)17-24(29)26(3)16-23(28)25-21-11-5-18(2)6-12-21/h5-12,22H,4,13-17H2,1-3H3,(H,25,28)
InChIKeyANPUBKUCGZATBN-UHFFFAOYSA-N
XLogP3.62
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8905627
2-[(4-chlorophenyl)methyl-cyclopropylamino]-N-(4-methylphenyl)acetamide
CID 60514622
2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(4-methylphenyl)acetamide
CID 8872677
2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N-(4-methylphenyl)acetamide
CID 60516285
2-[methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
CID 40696364
2-[methyl-[2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetyl]amino]-N-(4-methylphenyl)acetamide
CID 9028197
2-[cyclopropyl(2-hydroxyethyl)amino]-N-(4-methylphenyl)acetamide
CID 60509867
N-tert-butyl-2-[[2-[(4-chlorophenyl)methyl-cyclopropylamino]acetyl]-methylamino]acetamide
CID 55828636
2-[(4-aminocyclohexyl)-ethylamino]-N-(4-methylphenyl)acetamide
CID 79114144
(2R)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide
CID 9024649
[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8785660
2-[cyclopropyl-[(4-ethylphenyl)methyl]amino]acetamide
CID 56812522

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[cyclopropyl-[(4-ethylphenyl)methyl]amino]acetyl]-methylamino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[[2-[cyclopropyl-[(4-ethylphenyl)methyl]amino]acetyl]-methylamino]-N-(4-methylphenyl)acetamide (CID 55682363) is 2-[[2-[cyclopropyl-[(4-ethylphenyl)methyl]amino]acetyl]-methylamino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[[2-[cyclopropyl-[(4-ethylphenyl)methyl]amino]acetyl]-methylamino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[[2-[cyclopropyl-[(4-ethylphenyl)methyl]amino]acetyl]-methylamino]-N-(4-methylphenyl)acetamide is CCc1ccc(CN(CC(=O)N(C)CC(=O)Nc2ccc(C)cc2)C2CC2)cc1.
What is the InChIKey of 2-[[2-[cyclopropyl-[(4-ethylphenyl)methyl]amino]acetyl]-methylamino]-N-(4-methylphenyl)acetamide?
The InChIKey is ANPUBKUCGZATBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-4-19-7-9-20(10-8-19)15-27(22-13-14-22)17-24(29)26(3)16-23(28)25-21-11-5-18(2)6-12-21/h5-12,22H,4,13-17H2,1-3H3,(H,25,28).
What are the key properties of 2-[[2-[cyclopropyl-[(4-ethylphenyl)methyl]amino]acetyl]-methylamino]-N-(4-methylphenyl)acetamide?
2-[[2-[cyclopropyl-[(4-ethylphenyl)methyl]amino]acetyl]-methylamino]-N-(4-methylphenyl)acetamide has a molecular weight of 393.53 g/mol, XLogP of 3.62, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[cyclopropyl-[(4-ethylphenyl)methyl]amino]acetyl]-methylamino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 55682363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).