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

C23H30N2O4 — CID 132660834

IUPAC2-[benzyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-propylbutanamide
SMILESCCCNC(=O)C(CC)N(Cc1ccccc1)C(=O)COc1ccc(OC)cc1
InChIInChI=1S/C23H30N2O4/c1-4-15-24-23(27)21(5-2)25(16-18-9-7-6-8-10-18)22(26)17-29-20-13-11-19(28-3)12-14-20/h6-14,21H,4-5,15-17H2,1-3H3,(H,24,27)
InChIKeyQYONSZMPNXBEPT-UHFFFAOYSA-N
MW398.50 g/mol
LogP3.41
Rot. Bonds11

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

2-[benzyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-propylbutanamide (PubChem CID 132660834) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is 2-[benzyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-propylbutanamide.

Molecular Properties

Compound Name2-[benzyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-propylbutanamide
PubChem CID132660834
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC Name2-[benzyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-propylbutanamide
SMILESCCCNC(=O)C(CC)N(Cc1ccccc1)C(=O)COc1ccc(OC)cc1
InChIInChI=1S/C23H30N2O4/c1-4-15-24-23(27)21(5-2)25(16-18-9-7-6-8-10-18)22(26)17-29-20-13-11-19(28-3)12-14-20/h6-14,21H,4-5,15-17H2,1-3H3,(H,24,27)
InChIKeyQYONSZMPNXBEPT-UHFFFAOYSA-N
XLogP3.41
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 53.41
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
(2S)-2-[benzyl-(2-phenoxyacetyl)amino]-N-propylbutanamide
CID 100536498
2-[benzyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-methylbutanamide
CID 132655548
(2R)-2-[benzyl-[2-(4-fluorophenoxy)acetyl]amino]-N-propylbutanamide
CID 100542869
2-[[2-(4-methoxyphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-N-propylbutanamide
CID 132664124
2-[benzyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]-N-propylbutanamide
CID 132663765
(2S)-2-[[2-(4-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-propylbutanamide
CID 100612422
(2R)-2-[[2-(4-bromophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-propylbutanamide
CID 100621920
2-[benzyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-butan-2-ylbutanamide
CID 132707479
2-[[2-(4-methoxyphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-3-phenyl-N-propylpropanamide
CID 132615977
N-ethyl-2-[[2-(4-methoxyphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]butanamide
CID 132664540
2-[benzyl-(2-phenoxyacetyl)amino]-N-ethylbutanamide
CID 132653456

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-propylbutanamide?
The IUPAC name of 2-[benzyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-propylbutanamide (CID 132660834) is 2-[benzyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-propylbutanamide.
What is the SMILES notation for 2-[benzyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-propylbutanamide?
The canonical SMILES for 2-[benzyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-propylbutanamide is CCCNC(=O)C(CC)N(Cc1ccccc1)C(=O)COc1ccc(OC)cc1.
What is the InChIKey of 2-[benzyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-propylbutanamide?
The InChIKey is QYONSZMPNXBEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-4-15-24-23(27)21(5-2)25(16-18-9-7-6-8-10-18)22(26)17-29-20-13-11-19(28-3)12-14-20/h6-14,21H,4-5,15-17H2,1-3H3,(H,24,27).
What are the key properties of 2-[benzyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-propylbutanamide?
2-[benzyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-propylbutanamide has a molecular weight of 398.50 g/mol, XLogP of 3.41, 11 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-propylbutanamide is sourced from PubChem (CID 132660834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).