2-[[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide

C25H33N3O3 — CID 8622472

IUPAC2-[[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCOc1ccc(CN(C(=O)CN(C)CC(=O)Nc2c(C)cc(C)cc2C)C2CC2)cc1
InChIInChI=1S/C25H33N3O3/c1-17-12-18(2)25(19(3)13-17)26-23(29)15-27(4)16-24(30)28(21-8-9-21)14-20-6-10-22(31-5)11-7-20/h6-7,10-13,21H,8-9,14-16H2,1-5H3,(H,26,29)
InChIKeyQTLGHBFCDOWJNJ-UHFFFAOYSA-N
MW423.56 g/mol
LogP3.68
Rot. Bonds9

About 2-[[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide

2-[[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 8622472) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is 2-[[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID8622472
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC Name2-[[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCOc1ccc(CN(C(=O)CN(C)CC(=O)Nc2c(C)cc(C)cc2C)C2CC2)cc1
InChIInChI=1S/C25H33N3O3/c1-17-12-18(2)25(19(3)13-17)26-23(29)15-27(4)16-24(30)28(21-8-9-21)14-20-6-10-22(31-5)11-7-20/h6-7,10-13,21H,8-9,14-16H2,1-5H3,(H,26,29)
InChIKeyQTLGHBFCDOWJNJ-UHFFFAOYSA-N
XLogP3.68
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide (CID 8622472) is 2-[[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide is COc1ccc(CN(C(=O)CN(C)CC(=O)Nc2c(C)cc(C)cc2C)C2CC2)cc1.
What is the InChIKey of 2-[[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is QTLGHBFCDOWJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-17-12-18(2)25(19(3)13-17)26-23(29)15-27(4)16-24(30)28(21-8-9-21)14-20-6-10-22(31-5)11-7-20/h6-7,10-13,21H,8-9,14-16H2,1-5H3,(H,26,29).
What are the key properties of 2-[[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide?
2-[[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 423.56 g/mol, XLogP of 3.68, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 8622472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).