4-(4-methoxyphenoxy)-N-[1-oxo-1-(propylamino)propan-2-yl]-N-(2-phenylethyl)butanamide

C25H34N2O4 — CID 132667972

IUPAC4-(4-methoxyphenoxy)-N-[1-oxo-1-(propylamino)propan-2-yl]-N-(2-phenylethyl)butanamide
SMILESCCCNC(=O)C(C)N(CCc1ccccc1)C(=O)CCCOc1ccc(OC)cc1
InChIInChI=1S/C25H34N2O4/c1-4-17-26-25(29)20(2)27(18-16-21-9-6-5-7-10-21)24(28)11-8-19-31-23-14-12-22(30-3)13-15-23/h5-7,9-10,12-15,20H,4,8,11,16-19H2,1-3H3,(H,26,29)
InChIKeyCDCDVCOEEMBUHX-UHFFFAOYSA-N
MW426.56 g/mol
LogP3.84
Rot. Bonds13

About 4-(4-methoxyphenoxy)-N-[1-oxo-1-(propylamino)propan-2-yl]-N-(2-phenylethyl)butanamide

4-(4-methoxyphenoxy)-N-[1-oxo-1-(propylamino)propan-2-yl]-N-(2-phenylethyl)butanamide (PubChem CID 132667972) has the molecular formula C25H34N2O4 and a molecular weight of 426.56 g/mol. Its IUPAC name is 4-(4-methoxyphenoxy)-N-[1-oxo-1-(propylamino)propan-2-yl]-N-(2-phenylethyl)butanamide.

Molecular Properties

Compound Name4-(4-methoxyphenoxy)-N-[1-oxo-1-(propylamino)propan-2-yl]-N-(2-phenylethyl)butanamide
PubChem CID132667972
Molecular FormulaC25H34N2O4
Molecular Weight426.56 g/mol
Exact Mass426.25
IUPAC Name4-(4-methoxyphenoxy)-N-[1-oxo-1-(propylamino)propan-2-yl]-N-(2-phenylethyl)butanamide
SMILESCCCNC(=O)C(C)N(CCc1ccccc1)C(=O)CCCOc1ccc(OC)cc1
InChIInChI=1S/C25H34N2O4/c1-4-17-26-25(29)20(2)27(18-16-21-9-6-5-7-10-21)24(28)11-8-19-31-23-14-12-22(30-3)13-15-23/h5-7,9-10,12-15,20H,4,8,11,16-19H2,1-3H3,(H,26,29)
InChIKeyCDCDVCOEEMBUHX-UHFFFAOYSA-N
XLogP3.84
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methoxyphenyl)methyl]-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-4-phenoxybutanamide
CID 100527476
2-[[2-(4-methoxyphenyl)acetyl]-(2-phenylethyl)amino]-N-propylpropanamide
CID 132657500
N-benzyl-4-(4-methoxyphenoxy)-N-[1-oxo-3-phenyl-1-(propylamino)propan-2-yl]butanamide
CID 132617832
(2R)-2-[[2-[(4-methoxyphenyl)methylsulfanyl]acetyl]-(2-phenylethyl)amino]-N-propylpropanamide
CID 100530079
N-butan-2-yl-2-[4-(4-methoxyphenoxy)butanoyl-(2-phenylethyl)amino]butanamide
CID 132718126
N-benzyl-4-(4-methoxyphenoxy)-N-[1-(methylamino)-1-oxopropan-2-yl]butanamide
CID 132657894
(2S)-2-[2-phenylethyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]-N-propylpropanamide
CID 100534858
(2S)-2-[[2-(4-bromophenoxy)acetyl]-(2-phenylethyl)amino]-N-propylpropanamide
CID 100534513
(2R)-2-[[2-(4-iodophenoxy)acetyl]-(2-phenylethyl)amino]-N-propylpropanamide
CID 100535565
N-benzyl-N-[(2R)-1-(butylamino)-1-oxo-3-phenylpropan-2-yl]-4-(4-methoxyphenoxy)butanamide
CID 100583526
N-[(3,4-dichlorophenyl)methyl]-4-(4-methoxyphenoxy)-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]butanamide
CID 100507842
N-[(3,4-dichlorophenyl)methyl]-4-(4-methoxyphenoxy)-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]butanamide
CID 100507834

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenoxy)-N-[1-oxo-1-(propylamino)propan-2-yl]-N-(2-phenylethyl)butanamide?
The IUPAC name of 4-(4-methoxyphenoxy)-N-[1-oxo-1-(propylamino)propan-2-yl]-N-(2-phenylethyl)butanamide (CID 132667972) is 4-(4-methoxyphenoxy)-N-[1-oxo-1-(propylamino)propan-2-yl]-N-(2-phenylethyl)butanamide.
What is the SMILES notation for 4-(4-methoxyphenoxy)-N-[1-oxo-1-(propylamino)propan-2-yl]-N-(2-phenylethyl)butanamide?
The canonical SMILES for 4-(4-methoxyphenoxy)-N-[1-oxo-1-(propylamino)propan-2-yl]-N-(2-phenylethyl)butanamide is CCCNC(=O)C(C)N(CCc1ccccc1)C(=O)CCCOc1ccc(OC)cc1.
What is the InChIKey of 4-(4-methoxyphenoxy)-N-[1-oxo-1-(propylamino)propan-2-yl]-N-(2-phenylethyl)butanamide?
The InChIKey is CDCDVCOEEMBUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O4/c1-4-17-26-25(29)20(2)27(18-16-21-9-6-5-7-10-21)24(28)11-8-19-31-23-14-12-22(30-3)13-15-23/h5-7,9-10,12-15,20H,4,8,11,16-19H2,1-3H3,(H,26,29).
What are the key properties of 4-(4-methoxyphenoxy)-N-[1-oxo-1-(propylamino)propan-2-yl]-N-(2-phenylethyl)butanamide?
4-(4-methoxyphenoxy)-N-[1-oxo-1-(propylamino)propan-2-yl]-N-(2-phenylethyl)butanamide has a molecular weight of 426.56 g/mol, XLogP of 3.84, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenoxy)-N-[1-oxo-1-(propylamino)propan-2-yl]-N-(2-phenylethyl)butanamide is sourced from PubChem (CID 132667972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).