2-[benzyl-[2-(2,5-dimethylphenyl)acetyl]amino]-N-propan-2-ylpropanamide

C23H30N2O2 — CID 132654863

IUPAC2-[benzyl-[2-(2,5-dimethylphenyl)acetyl]amino]-N-propan-2-ylpropanamide
SMILESCc1ccc(C)c(CC(=O)N(Cc2ccccc2)C(C)C(=O)NC(C)C)c1
InChIInChI=1S/C23H30N2O2/c1-16(2)24-23(27)19(5)25(15-20-9-7-6-8-10-20)22(26)14-21-13-17(3)11-12-18(21)4/h6-13,16,19H,14-15H2,1-5H3,(H,24,27)
InChIKeyCWXJIOIKUBCCHB-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.79
Rot. Bonds7

About 2-[benzyl-[2-(2,5-dimethylphenyl)acetyl]amino]-N-propan-2-ylpropanamide

2-[benzyl-[2-(2,5-dimethylphenyl)acetyl]amino]-N-propan-2-ylpropanamide (PubChem CID 132654863) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 2-[benzyl-[2-(2,5-dimethylphenyl)acetyl]amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[benzyl-[2-(2,5-dimethylphenyl)acetyl]amino]-N-propan-2-ylpropanamide
PubChem CID132654863
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name2-[benzyl-[2-(2,5-dimethylphenyl)acetyl]amino]-N-propan-2-ylpropanamide
SMILESCc1ccc(C)c(CC(=O)N(Cc2ccccc2)C(C)C(=O)NC(C)C)c1
InChIInChI=1S/C23H30N2O2/c1-16(2)24-23(27)19(5)25(15-20-9-7-6-8-10-20)22(26)14-21-13-17(3)11-12-18(21)4/h6-13,16,19H,14-15H2,1-5H3,(H,24,27)
InChIKeyCWXJIOIKUBCCHB-UHFFFAOYSA-N
XLogP3.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[2-(2,5-dimethylphenyl)acetyl]amino]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[benzyl-[2-(2,5-dimethylphenyl)acetyl]amino]-N-propan-2-ylpropanamide (CID 132654863) is 2-[benzyl-[2-(2,5-dimethylphenyl)acetyl]amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[benzyl-[2-(2,5-dimethylphenyl)acetyl]amino]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[benzyl-[2-(2,5-dimethylphenyl)acetyl]amino]-N-propan-2-ylpropanamide is Cc1ccc(C)c(CC(=O)N(Cc2ccccc2)C(C)C(=O)NC(C)C)c1.
What is the InChIKey of 2-[benzyl-[2-(2,5-dimethylphenyl)acetyl]amino]-N-propan-2-ylpropanamide?
The InChIKey is CWXJIOIKUBCCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-16(2)24-23(27)19(5)25(15-20-9-7-6-8-10-20)22(26)14-21-13-17(3)11-12-18(21)4/h6-13,16,19H,14-15H2,1-5H3,(H,24,27).
What are the key properties of 2-[benzyl-[2-(2,5-dimethylphenyl)acetyl]amino]-N-propan-2-ylpropanamide?
2-[benzyl-[2-(2,5-dimethylphenyl)acetyl]amino]-N-propan-2-ylpropanamide has a molecular weight of 366.51 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[2-(2,5-dimethylphenyl)acetyl]amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 132654863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).