2-[benzyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-methylbutanamide

C21H26N2O4 — CID 132655548

IUPAC2-[benzyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-methylbutanamide
SMILESCCC(C(=O)NC)N(Cc1ccccc1)C(=O)COc1ccc(OC)cc1
InChIInChI=1S/C21H26N2O4/c1-4-19(21(25)22-2)23(14-16-8-6-5-7-9-16)20(24)15-27-18-12-10-17(26-3)11-13-18/h5-13,19H,4,14-15H2,1-3H3,(H,22,25)
InChIKeyOTOMTCJBYLCUTE-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.63
Rot. Bonds9

About 2-[benzyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-methylbutanamide

2-[benzyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-methylbutanamide (PubChem CID 132655548) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-[benzyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-methylbutanamide.

Molecular Properties

Compound Name2-[benzyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-methylbutanamide
PubChem CID132655548
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name2-[benzyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-methylbutanamide
SMILESCCC(C(=O)NC)N(Cc1ccccc1)C(=O)COc1ccc(OC)cc1
InChIInChI=1S/C21H26N2O4/c1-4-19(21(25)22-2)23(14-16-8-6-5-7-9-16)20(24)15-27-18-12-10-17(26-3)11-13-18/h5-13,19H,4,14-15H2,1-3H3,(H,22,25)
InChIKeyOTOMTCJBYLCUTE-UHFFFAOYSA-N
XLogP2.63
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-ethylbutanamide
CID 132657878
2-[benzyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-propylbutanamide
CID 132660834
2-[benzyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-butan-2-ylbutanamide
CID 132707479
N-ethyl-2-[[2-(4-methoxyphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]butanamide
CID 132664540
2-[[2-(4-chlorophenoxy)acetyl]-[(4-chlorophenyl)methyl]amino]-N-methylbutanamide
CID 132663458
2-[benzyl-(2-phenoxyacetyl)amino]-N-ethylbutanamide
CID 132653456
(2S)-2-[benzyl-(2-phenoxyacetyl)amino]-N-propylbutanamide
CID 100536498
(2S)-2-[benzyl-(2-phenoxyacetyl)amino]-N-methyl-3-phenylpropanamide
CID 100655342
2-[benzyl-[2-(3,5-dimethoxyphenoxy)acetyl]amino]-N-methyl-3-phenylpropanamide
CID 132614341
2-[benzyl-[2-[(4-methoxyphenyl)methylsulfanyl]acetyl]amino]-N-methylbutanamide
CID 132661305
2-[[2-(3,4-dimethylphenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-methylbutanamide
CID 132660808
2-[(3-bromophenyl)methyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-methyl-3-phenylpropanamide
CID 132620745

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-methylbutanamide?
The IUPAC name of 2-[benzyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-methylbutanamide (CID 132655548) is 2-[benzyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-methylbutanamide.
What is the SMILES notation for 2-[benzyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-methylbutanamide?
The canonical SMILES for 2-[benzyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-methylbutanamide is CCC(C(=O)NC)N(Cc1ccccc1)C(=O)COc1ccc(OC)cc1.
What is the InChIKey of 2-[benzyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-methylbutanamide?
The InChIKey is OTOMTCJBYLCUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-4-19(21(25)22-2)23(14-16-8-6-5-7-9-16)20(24)15-27-18-12-10-17(26-3)11-13-18/h5-13,19H,4,14-15H2,1-3H3,(H,22,25).
What are the key properties of 2-[benzyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-methylbutanamide?
2-[benzyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-methylbutanamide has a molecular weight of 370.45 g/mol, XLogP of 2.63, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-methylbutanamide is sourced from PubChem (CID 132655548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).