2-[benzyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]-N-butylpropanamide

C25H34N2O3 — CID 132706995

IUPAC2-[benzyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]-N-butylpropanamide
SMILESCCCCNC(=O)C(C)N(Cc1ccccc1)C(=O)COc1ccc(C(C)C)cc1
InChIInChI=1S/C25H34N2O3/c1-5-6-16-26-25(29)20(4)27(17-21-10-8-7-9-11-21)24(28)18-30-23-14-12-22(13-15-23)19(2)3/h7-15,19-20H,5-6,16-18H2,1-4H3,(H,26,29)
InChIKeyWRJLNHRPWOFHMW-UHFFFAOYSA-N
MW410.56 g/mol
LogP4.52
Rot. Bonds11

About 2-[benzyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]-N-butylpropanamide

2-[benzyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]-N-butylpropanamide (PubChem CID 132706995) has the molecular formula C25H34N2O3 and a molecular weight of 410.56 g/mol. Its IUPAC name is 2-[benzyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]-N-butylpropanamide.

Molecular Properties

Compound Name2-[benzyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]-N-butylpropanamide
PubChem CID132706995
Molecular FormulaC25H34N2O3
Molecular Weight410.56 g/mol
Exact Mass410.26
IUPAC Name2-[benzyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]-N-butylpropanamide
SMILESCCCCNC(=O)C(C)N(Cc1ccccc1)C(=O)COc1ccc(C(C)C)cc1
InChIInChI=1S/C25H34N2O3/c1-5-6-16-26-25(29)20(4)27(17-21-10-8-7-9-11-21)24(28)18-30-23-14-12-22(13-15-23)19(2)3/h7-15,19-20H,5-6,16-18H2,1-4H3,(H,26,29)
InChIKeyWRJLNHRPWOFHMW-UHFFFAOYSA-N
XLogP4.52
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-butyl-2-[(4-chlorophenyl)methyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]-3-phenylpropanamide
CID 100639441
(2S)-2-[2-phenylethyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]-N-propylpropanamide
CID 100534858
2-[benzyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]-N-propylbutanamide
CID 132663765
(2S)-2-[(4-methoxyphenyl)methyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]-N-propylpropanamide
CID 100528063
2-[benzyl-[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-butylpropanamide
CID 132708479
(2R)-N-butyl-2-[(3-chlorophenyl)methyl-(2-phenoxyacetyl)amino]propanamide
CID 100550982
2-[(2-fluorophenyl)methyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]-N-propylpropanamide
CID 132986920
N-butyl-2-[(4-chlorophenyl)methyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]butanamide
CID 132719344
(2S)-N-butyl-2-[(3,4-dichlorophenyl)methyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]-3-phenylpropanamide
CID 100695441
N-butyl-2-[[2-(4-ethylphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 132710468
2-[benzyl-[2-(2-fluorophenoxy)acetyl]amino]-N-butylpropanamide
CID 132703567
2-[benzyl-(2-phenoxyacetyl)amino]-N-pentyl-2-phenylacetamide
CID 133237249

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]-N-butylpropanamide?
The IUPAC name of 2-[benzyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]-N-butylpropanamide (CID 132706995) is 2-[benzyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]-N-butylpropanamide.
What is the SMILES notation for 2-[benzyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]-N-butylpropanamide?
The canonical SMILES for 2-[benzyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]-N-butylpropanamide is CCCCNC(=O)C(C)N(Cc1ccccc1)C(=O)COc1ccc(C(C)C)cc1.
What is the InChIKey of 2-[benzyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]-N-butylpropanamide?
The InChIKey is WRJLNHRPWOFHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O3/c1-5-6-16-26-25(29)20(4)27(17-21-10-8-7-9-11-21)24(28)18-30-23-14-12-22(13-15-23)19(2)3/h7-15,19-20H,5-6,16-18H2,1-4H3,(H,26,29).
What are the key properties of 2-[benzyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]-N-butylpropanamide?
2-[benzyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]-N-butylpropanamide has a molecular weight of 410.56 g/mol, XLogP of 4.52, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]-N-butylpropanamide is sourced from PubChem (CID 132706995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).