2-[(2-methylphenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide

C25H34N2O3 — CID 132663822

IUPAC2-[(2-methylphenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
SMILESCc1cc(C)c(C)c(OCC(=O)N(Cc2ccccc2C)C(C)C(=O)NC(C)C)c1
InChIInChI=1S/C25H34N2O3/c1-16(2)26-25(29)21(7)27(14-22-11-9-8-10-18(22)4)24(28)15-30-23-13-17(3)12-19(5)20(23)6/h8-13,16,21H,14-15H2,1-7H3,(H,26,29)
InChIKeyDGBNNDIHQXEMIZ-UHFFFAOYSA-N
MW410.56 g/mol
LogP4.24
Rot. Bonds8

About 2-[(2-methylphenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide

2-[(2-methylphenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide (PubChem CID 132663822) has the molecular formula C25H34N2O3 and a molecular weight of 410.56 g/mol. Its IUPAC name is 2-[(2-methylphenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[(2-methylphenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
PubChem CID132663822
Molecular FormulaC25H34N2O3
Molecular Weight410.56 g/mol
Exact Mass410.26
IUPAC Name2-[(2-methylphenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
SMILESCc1cc(C)c(C)c(OCC(=O)N(Cc2ccccc2C)C(C)C(=O)NC(C)C)c1
InChIInChI=1S/C25H34N2O3/c1-16(2)26-25(29)21(7)27(14-22-11-9-8-10-18(22)4)24(28)15-30-23-13-17(3)12-19(5)20(23)6/h8-13,16,21H,14-15H2,1-7H3,(H,26,29)
InChIKeyDGBNNDIHQXEMIZ-UHFFFAOYSA-N
XLogP4.24
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(2R)-butan-2-yl]-2-[(2-methylphenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]propanamide
CID 100530092
2-[(4-chlorophenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
CID 132669194
(2S)-N-[(2R)-butan-2-yl]-2-[(2-methylphenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]butanamide
CID 100663065
(2R)-2-[(2-methylphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
CID 100654908
(2S)-2-[(2-methylphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
CID 100654897
N-butan-2-yl-2-[[2-(2,5-dimethylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
CID 132707007
(2S)-N-[(2R)-butan-2-yl]-2-[[2-(2,5-dimethylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
CID 100529981
N-butan-2-yl-2-[[2-(2,4-dimethylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
CID 132707003
(2S)-2-[(2-fluorophenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]-N-(2-methylpropyl)propanamide
CID 100723507
N-cyclohexyl-2-[(2-methylphenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]butanamide
CID 132614709
2-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 132680320
(2R)-2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-[(2-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100653036

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[(2-methylphenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide (CID 132663822) is 2-[(2-methylphenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[(2-methylphenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[(2-methylphenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide is Cc1cc(C)c(C)c(OCC(=O)N(Cc2ccccc2C)C(C)C(=O)NC(C)C)c1.
What is the InChIKey of 2-[(2-methylphenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide?
The InChIKey is DGBNNDIHQXEMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O3/c1-16(2)26-25(29)21(7)27(14-22-11-9-8-10-18(22)4)24(28)15-30-23-13-17(3)12-19(5)20(23)6/h8-13,16,21H,14-15H2,1-7H3,(H,26,29).
What are the key properties of 2-[(2-methylphenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide?
2-[(2-methylphenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide has a molecular weight of 410.56 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylphenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 132663822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).