N-benzyl-N-tert-butyl-2-(2,4-dichlorophenoxy)acetamide

C19H21Cl2NO2 — CID 3303263

IUPACN-benzyl-N-tert-butyl-2-(2,4-dichlorophenoxy)acetamide
SMILESCC(C)(C)N(Cc1ccccc1)C(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H21Cl2NO2/c1-19(2,3)22(12-14-7-5-4-6-8-14)18(23)13-24-17-10-9-15(20)11-16(17)21/h4-11H,12-13H2,1-3H3
InChIKeyDRKSEJHHHSYCDK-UHFFFAOYSA-N
MW366.29 g/mol
LogP5.20
Rot. Bonds5

About N-benzyl-N-tert-butyl-2-(2,4-dichlorophenoxy)acetamide

N-benzyl-N-tert-butyl-2-(2,4-dichlorophenoxy)acetamide (PubChem CID 3303263) has the molecular formula C19H21Cl2NO2 and a molecular weight of 366.29 g/mol. Its IUPAC name is N-benzyl-N-tert-butyl-2-(2,4-dichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-benzyl-N-tert-butyl-2-(2,4-dichlorophenoxy)acetamide
PubChem CID3303263
Molecular FormulaC19H21Cl2NO2
Molecular Weight366.29 g/mol
Exact Mass365.09
IUPAC NameN-benzyl-N-tert-butyl-2-(2,4-dichlorophenoxy)acetamide
SMILESCC(C)(C)N(Cc1ccccc1)C(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H21Cl2NO2/c1-19(2,3)22(12-14-7-5-4-6-8-14)18(23)13-24-17-10-9-15(20)11-16(17)21/h4-11H,12-13H2,1-3H3
InChIKeyDRKSEJHHHSYCDK-UHFFFAOYSA-N
XLogP5.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.29
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-tert-butyl-2-phenoxyacetamide
CID 2927672
3-[tert-butyl-[2-(2-chlorophenoxy)acetyl]amino]propanoic acid
CID 60826050
2-(2,4-dichlorophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide
CID 79291699
2-[benzyl-[2-(2,4-dichlorophenoxy)acetyl]amino]-3-phenyl-N-propylpropanamide
CID 132619209
2-[[2-(4-bromo-2-chlorophenoxy)acetyl]-tert-butylamino]acetic acid
CID 79262007
N-tert-butyl-2-[[2-(2,4-dichlorophenoxy)acetyl]-(2-phenylethyl)amino]propanamide
CID 132717313
2-[(4-chlorophenyl)methyl-[2-(2,4-dichlorophenoxy)acetyl]amino]-N-ethyl-3-phenylpropanamide
CID 132622064
N-(1,3-benzothiazol-2-yl)-N-benzyl-2-(2,4-dichlorophenoxy)acetamide
CID 41109508
2-[carboxymethyl-[2-(2,4-dichlorophenoxy)acetyl]amino]acetic acid
CID 63645389
N-benzyl-2-(4-chloro-2-methylphenoxy)-N-ethylacetamide
CID 112978890
1-(2,4-dichlorophenoxy)-2-phenylpropan-2-ol
CID 62373347
2-(2,4-dichlorophenoxy)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide
CID 79387659

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-tert-butyl-2-(2,4-dichlorophenoxy)acetamide?
The IUPAC name of N-benzyl-N-tert-butyl-2-(2,4-dichlorophenoxy)acetamide (CID 3303263) is N-benzyl-N-tert-butyl-2-(2,4-dichlorophenoxy)acetamide.
What is the SMILES notation for N-benzyl-N-tert-butyl-2-(2,4-dichlorophenoxy)acetamide?
The canonical SMILES for N-benzyl-N-tert-butyl-2-(2,4-dichlorophenoxy)acetamide is CC(C)(C)N(Cc1ccccc1)C(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of N-benzyl-N-tert-butyl-2-(2,4-dichlorophenoxy)acetamide?
The InChIKey is DRKSEJHHHSYCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2NO2/c1-19(2,3)22(12-14-7-5-4-6-8-14)18(23)13-24-17-10-9-15(20)11-16(17)21/h4-11H,12-13H2,1-3H3.
What are the key properties of N-benzyl-N-tert-butyl-2-(2,4-dichlorophenoxy)acetamide?
N-benzyl-N-tert-butyl-2-(2,4-dichlorophenoxy)acetamide has a molecular weight of 366.29 g/mol, XLogP of 5.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-tert-butyl-2-(2,4-dichlorophenoxy)acetamide is sourced from PubChem (CID 3303263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).