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

C25H34N2O4 — CID 132667994

IUPACN-ethyl-2-[(4-methoxyphenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]butanamide
SMILESCCNC(=O)C(CC)N(Cc1ccc(OC)cc1)C(=O)COc1cc(C)cc(C)c1C
InChIInChI=1S/C25H34N2O4/c1-7-22(25(29)26-8-2)27(15-20-9-11-21(30-6)12-10-20)24(28)16-31-23-14-17(3)13-18(4)19(23)5/h9-14,22H,7-8,15-16H2,1-6H3,(H,26,29)
InChIKeyKJTNSHGINNZIQZ-UHFFFAOYSA-N
MW426.56 g/mol
LogP3.94
Rot. Bonds10

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

N-ethyl-2-[(4-methoxyphenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]butanamide (PubChem CID 132667994) has the molecular formula C25H34N2O4 and a molecular weight of 426.56 g/mol. Its IUPAC name is N-ethyl-2-[(4-methoxyphenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]butanamide.

Molecular Properties

Compound NameN-ethyl-2-[(4-methoxyphenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]butanamide
PubChem CID132667994
Molecular FormulaC25H34N2O4
Molecular Weight426.56 g/mol
Exact Mass426.25
IUPAC NameN-ethyl-2-[(4-methoxyphenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]butanamide
SMILESCCNC(=O)C(CC)N(Cc1ccc(OC)cc1)C(=O)COc1cc(C)cc(C)c1C
InChIInChI=1S/C25H34N2O4/c1-7-22(25(29)26-8-2)27(15-20-9-11-21(30-6)12-10-20)24(28)16-31-23-14-17(3)13-18(4)19(23)5/h9-14,22H,7-8,15-16H2,1-6H3,(H,26,29)
InChIKeyKJTNSHGINNZIQZ-UHFFFAOYSA-N
XLogP3.94
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methoxyphenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]-N-propan-2-ylbutanamide
CID 132714139
N-ethyl-2-[[2-(4-methoxyphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]butanamide
CID 132664540
(2R)-N-[(2S)-butan-2-yl]-2-[(4-methoxyphenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]propanamide
CID 100619982
N-tert-butyl-2-[(3-methoxyphenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]butanamide
CID 132613397
2-[benzyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-ethylbutanamide
CID 132657878
2-[benzyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]-N-butan-2-ylbutanamide
CID 132709845
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
2-[[2-(4-methoxyphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-N-propylbutanamide
CID 132664124
(2S)-N-cyclohexyl-2-[[2-(2,5-dimethylphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]butanamide
CID 100599323
2-[[2-(2,4-dimethylphenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]-N-ethylbutanamide
CID 132661239
2-[benzyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]-N-cyclohexylbutanamide
CID 132612854

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(4-methoxyphenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]butanamide?
The IUPAC name of N-ethyl-2-[(4-methoxyphenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]butanamide (CID 132667994) is N-ethyl-2-[(4-methoxyphenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]butanamide.
What is the SMILES notation for N-ethyl-2-[(4-methoxyphenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]butanamide?
The canonical SMILES for N-ethyl-2-[(4-methoxyphenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]butanamide is CCNC(=O)C(CC)N(Cc1ccc(OC)cc1)C(=O)COc1cc(C)cc(C)c1C.
What is the InChIKey of N-ethyl-2-[(4-methoxyphenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]butanamide?
The InChIKey is KJTNSHGINNZIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O4/c1-7-22(25(29)26-8-2)27(15-20-9-11-21(30-6)12-10-20)24(28)16-31-23-14-17(3)13-18(4)19(23)5/h9-14,22H,7-8,15-16H2,1-6H3,(H,26,29).
What are the key properties of N-ethyl-2-[(4-methoxyphenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]butanamide?
N-ethyl-2-[(4-methoxyphenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]butanamide has a molecular weight of 426.56 g/mol, XLogP of 3.94, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(4-methoxyphenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]butanamide is sourced from PubChem (CID 132667994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).