2-[2-phenylethyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-propylbutanamide

C26H36N2O3 — CID 132667474

IUPAC2-[2-phenylethyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-propylbutanamide
SMILESCCCNC(=O)C(CC)N(CCc1ccccc1)C(=O)COc1ccccc1C(C)C
InChIInChI=1S/C26H36N2O3/c1-5-17-27-26(30)23(6-2)28(18-16-21-12-8-7-9-13-21)25(29)19-31-24-15-11-10-14-22(24)20(3)4/h7-15,20,23H,5-6,16-19H2,1-4H3,(H,27,30)
InChIKeySMCHXPKDYHCTCU-UHFFFAOYSA-N
MW424.59 g/mol
LogP4.56
Rot. Bonds12

About 2-[2-phenylethyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-propylbutanamide

2-[2-phenylethyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-propylbutanamide (PubChem CID 132667474) has the molecular formula C26H36N2O3 and a molecular weight of 424.59 g/mol. Its IUPAC name is 2-[2-phenylethyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-propylbutanamide.

Molecular Properties

Compound Name2-[2-phenylethyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-propylbutanamide
PubChem CID132667474
Molecular FormulaC26H36N2O3
Molecular Weight424.59 g/mol
Exact Mass424.27
IUPAC Name2-[2-phenylethyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-propylbutanamide
SMILESCCCNC(=O)C(CC)N(CCc1ccccc1)C(=O)COc1ccccc1C(C)C
InChIInChI=1S/C26H36N2O3/c1-5-17-27-26(30)23(6-2)28(18-16-21-12-8-7-9-13-21)25(29)19-31-24-15-11-10-14-22(24)20(3)4/h7-15,20,23H,5-6,16-19H2,1-4H3,(H,27,30)
InChIKeySMCHXPKDYHCTCU-UHFFFAOYSA-N
XLogP4.56
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.59
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(2-methylpropyl)-2-[2-phenylethyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]butanamide
CID 100515257
N-(2-methylpropyl)-2-[2-phenylethyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]butanamide
CID 132713657
(2R)-2-[2-phenylethyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]-N-propylbutanamide
CID 100635750
(2S)-2-[(4-chlorophenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-propylbutanamide
CID 100576885
(2S)-2-[[2-(4-methylphenoxy)acetyl]-(2-phenylethyl)amino]-N-propylbutanamide
CID 100637813
(2S)-2-[[2-(4-ethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-propylbutanamide
CID 100635735
(2S)-2-[[2-(2,4-dichlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-propylbutanamide
CID 100626355
2-[(2-chlorophenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-propylbutanamide
CID 132673350
2-[[2-(2-bromo-4-ethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-propylbutanamide
CID 132678173
N-butyl-2-[(2-naphthalen-1-yloxyacetyl)-(2-phenylethyl)amino]butanamide
CID 132715904
2-[[2-(4-bromo-2-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-propylbutanamide
CID 132679381
(2S)-2-[[2-(4-tert-butylphenoxy)acetyl]-(2-phenylethyl)amino]-N-propylbutanamide
CID 100635612

Frequently Asked Questions

What is the IUPAC name of 2-[2-phenylethyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-propylbutanamide?
The IUPAC name of 2-[2-phenylethyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-propylbutanamide (CID 132667474) is 2-[2-phenylethyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-propylbutanamide.
What is the SMILES notation for 2-[2-phenylethyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-propylbutanamide?
The canonical SMILES for 2-[2-phenylethyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-propylbutanamide is CCCNC(=O)C(CC)N(CCc1ccccc1)C(=O)COc1ccccc1C(C)C.
What is the InChIKey of 2-[2-phenylethyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-propylbutanamide?
The InChIKey is SMCHXPKDYHCTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O3/c1-5-17-27-26(30)23(6-2)28(18-16-21-12-8-7-9-13-21)25(29)19-31-24-15-11-10-14-22(24)20(3)4/h7-15,20,23H,5-6,16-19H2,1-4H3,(H,27,30).
What are the key properties of 2-[2-phenylethyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-propylbutanamide?
2-[2-phenylethyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-propylbutanamide has a molecular weight of 424.59 g/mol, XLogP of 4.56, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-phenylethyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-propylbutanamide is sourced from PubChem (CID 132667474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).