2-[(4-methoxyphenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]-N-propan-2-ylbutanamide

C26H36N2O4 — CID 132714139

IUPAC2-[(4-methoxyphenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]-N-propan-2-ylbutanamide
SMILESCCC(C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)COc1cc(C)cc(C)c1C
InChIInChI=1S/C26H36N2O4/c1-8-23(26(30)27-17(2)3)28(15-21-9-11-22(31-7)12-10-21)25(29)16-32-24-14-18(4)13-19(5)20(24)6/h9-14,17,23H,8,15-16H2,1-7H3,(H,27,30)
InChIKeyKESKDOHTGHKPFB-UHFFFAOYSA-N
MW440.58 g/mol
LogP4.33
Rot. Bonds10

About 2-[(4-methoxyphenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]-N-propan-2-ylbutanamide

2-[(4-methoxyphenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]-N-propan-2-ylbutanamide (PubChem CID 132714139) has the molecular formula C26H36N2O4 and a molecular weight of 440.58 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]-N-propan-2-ylbutanamide
PubChem CID132714139
Molecular FormulaC26H36N2O4
Molecular Weight440.58 g/mol
Exact Mass440.27
IUPAC Name2-[(4-methoxyphenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]-N-propan-2-ylbutanamide
SMILESCCC(C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)COc1cc(C)cc(C)c1C
InChIInChI=1S/C26H36N2O4/c1-8-23(26(30)27-17(2)3)28(15-21-9-11-22(31-7)12-10-21)25(29)16-32-24-14-18(4)13-19(5)20(24)6/h9-14,17,23H,8,15-16H2,1-7H3,(H,27,30)
InChIKeyKESKDOHTGHKPFB-UHFFFAOYSA-N
XLogP4.33
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.58
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[(4-methoxyphenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]butanamide
CID 132667994
(2R)-N-[(2S)-butan-2-yl]-2-[(4-methoxyphenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]propanamide
CID 100619982
2-[benzyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]-N-butan-2-ylbutanamide
CID 132709845
(2R)-2-[(3-methoxyphenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 100549575
2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-N-propan-2-ylbutanamide
CID 132673332
2-[(4-chlorophenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
CID 132669194
N-butan-2-yl-2-[(3-methylphenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]butanamide
CID 132713682
(2S)-2-[(4-fluorophenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 100516282
N-cyclohexyl-2-[(3-methoxyphenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]butanamide
CID 132616847
(2S)-N-cyclohexyl-2-[(3-methoxyphenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]butanamide
CID 100592705
(2S)-N-cyclohexyl-2-[[2-(2,5-dimethylphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]butanamide
CID 100599323
N-tert-butyl-2-[(3-methoxyphenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]butanamide
CID 132613397

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]-N-propan-2-ylbutanamide?
The IUPAC name of 2-[(4-methoxyphenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]-N-propan-2-ylbutanamide (CID 132714139) is 2-[(4-methoxyphenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]-N-propan-2-ylbutanamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]-N-propan-2-ylbutanamide?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]-N-propan-2-ylbutanamide is CCC(C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)COc1cc(C)cc(C)c1C.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]-N-propan-2-ylbutanamide?
The InChIKey is KESKDOHTGHKPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O4/c1-8-23(26(30)27-17(2)3)28(15-21-9-11-22(31-7)12-10-21)25(29)16-32-24-14-18(4)13-19(5)20(24)6/h9-14,17,23H,8,15-16H2,1-7H3,(H,27,30).
What are the key properties of 2-[(4-methoxyphenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]-N-propan-2-ylbutanamide?
2-[(4-methoxyphenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]-N-propan-2-ylbutanamide has a molecular weight of 440.58 g/mol, XLogP of 4.33, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]-N-propan-2-ylbutanamide is sourced from PubChem (CID 132714139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).