2-[[2-(2-tert-butylphenoxy)acetyl]-[(2-chlorophenyl)methyl]amino]-N-ethylbutanamide

C25H33ClN2O3 — CID 132673321

IUPAC2-[[2-(2-tert-butylphenoxy)acetyl]-[(2-chlorophenyl)methyl]amino]-N-ethylbutanamide
SMILESCCNC(=O)C(CC)N(Cc1ccccc1Cl)C(=O)COc1ccccc1C(C)(C)C
InChIInChI=1S/C25H33ClN2O3/c1-6-21(24(30)27-7-2)28(16-18-12-8-10-14-20(18)26)23(29)17-31-22-15-11-9-13-19(22)25(3,4)5/h8-15,21H,6-7,16-17H2,1-5H3,(H,27,30)
InChIKeyPZGFOMCXRNYIKQ-UHFFFAOYSA-N
MW445.00 g/mol
LogP4.96
Rot. Bonds9

About 2-[[2-(2-tert-butylphenoxy)acetyl]-[(2-chlorophenyl)methyl]amino]-N-ethylbutanamide

2-[[2-(2-tert-butylphenoxy)acetyl]-[(2-chlorophenyl)methyl]amino]-N-ethylbutanamide (PubChem CID 132673321) has the molecular formula C25H33ClN2O3 and a molecular weight of 445.00 g/mol. Its IUPAC name is 2-[[2-(2-tert-butylphenoxy)acetyl]-[(2-chlorophenyl)methyl]amino]-N-ethylbutanamide.

Molecular Properties

Compound Name2-[[2-(2-tert-butylphenoxy)acetyl]-[(2-chlorophenyl)methyl]amino]-N-ethylbutanamide
PubChem CID132673321
Molecular FormulaC25H33ClN2O3
Molecular Weight445.00 g/mol
Exact Mass444.22
IUPAC Name2-[[2-(2-tert-butylphenoxy)acetyl]-[(2-chlorophenyl)methyl]amino]-N-ethylbutanamide
SMILESCCNC(=O)C(CC)N(Cc1ccccc1Cl)C(=O)COc1ccccc1C(C)(C)C
InChIInChI=1S/C25H33ClN2O3/c1-6-21(24(30)27-7-2)28(16-18-12-8-10-14-20(18)26)23(29)17-31-22-15-11-9-13-19(22)25(3,4)5/h8-15,21H,6-7,16-17H2,1-5H3,(H,27,30)
InChIKeyPZGFOMCXRNYIKQ-UHFFFAOYSA-N
XLogP4.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.00
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2-tert-butylphenoxy)acetyl]-[(2-chlorophenyl)methyl]amino]-N-(2-methylpropyl)propanamide
CID 132719286
2-[[2-(2-tert-butylphenoxy)acetyl]-[(2,6-dichlorophenyl)methyl]amino]-N-methylbutanamide
CID 132676604
(2R)-N-[(2R)-butan-2-yl]-2-[[2-(2-tert-butylphenoxy)acetyl]-[(2,4-dichlorophenyl)methyl]amino]butanamide
CID 100725224
(2S)-2-[[2-(2-tert-butylphenoxy)acetyl]-[(3,4-dichlorophenyl)methyl]amino]-N-propylbutanamide
CID 100596027
(2R)-2-[benzyl-[2-(2-tert-butylphenoxy)acetyl]amino]-N-propylbutanamide
CID 100542885
2-[[2-(2-tert-butylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-ethyl-3-phenylpropanamide
CID 132617596
2-[(2-chlorophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-propylbutanamide
CID 132669737
2-[(2,6-dichlorophenyl)methyl-[2-(2-fluorophenoxy)acetyl]amino]-N-ethylbutanamide
CID 132672258
(2R)-2-[[2-(2-tert-butylphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-N-propylbutanamide
CID 100563415
2-[(2-chlorophenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-propylbutanamide
CID 132673350
2-[(2-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-ethylbutanamide
CID 132659399
N-tert-butyl-2-[(2-chlorophenyl)methyl-(2-phenoxyacetyl)amino]butanamide
CID 132708573

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-tert-butylphenoxy)acetyl]-[(2-chlorophenyl)methyl]amino]-N-ethylbutanamide?
The IUPAC name of 2-[[2-(2-tert-butylphenoxy)acetyl]-[(2-chlorophenyl)methyl]amino]-N-ethylbutanamide (CID 132673321) is 2-[[2-(2-tert-butylphenoxy)acetyl]-[(2-chlorophenyl)methyl]amino]-N-ethylbutanamide.
What is the SMILES notation for 2-[[2-(2-tert-butylphenoxy)acetyl]-[(2-chlorophenyl)methyl]amino]-N-ethylbutanamide?
The canonical SMILES for 2-[[2-(2-tert-butylphenoxy)acetyl]-[(2-chlorophenyl)methyl]amino]-N-ethylbutanamide is CCNC(=O)C(CC)N(Cc1ccccc1Cl)C(=O)COc1ccccc1C(C)(C)C.
What is the InChIKey of 2-[[2-(2-tert-butylphenoxy)acetyl]-[(2-chlorophenyl)methyl]amino]-N-ethylbutanamide?
The InChIKey is PZGFOMCXRNYIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33ClN2O3/c1-6-21(24(30)27-7-2)28(16-18-12-8-10-14-20(18)26)23(29)17-31-22-15-11-9-13-19(22)25(3,4)5/h8-15,21H,6-7,16-17H2,1-5H3,(H,27,30).
What are the key properties of 2-[[2-(2-tert-butylphenoxy)acetyl]-[(2-chlorophenyl)methyl]amino]-N-ethylbutanamide?
2-[[2-(2-tert-butylphenoxy)acetyl]-[(2-chlorophenyl)methyl]amino]-N-ethylbutanamide has a molecular weight of 445.00 g/mol, XLogP of 4.96, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-tert-butylphenoxy)acetyl]-[(2-chlorophenyl)methyl]amino]-N-ethylbutanamide is sourced from PubChem (CID 132673321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).