N-(2-amino-4-chlorophenyl)-2-(3,3-dimethylbutoxy)acetamide

C14H21ClN2O2 — CID 66234702

IUPACN-(2-amino-4-chlorophenyl)-2-(3,3-dimethylbutoxy)acetamide
SMILESCC(C)(C)CCOCC(=O)Nc1ccc(Cl)cc1N
InChIInChI=1S/C14H21ClN2O2/c1-14(2,3)6-7-19-9-13(18)17-12-5-4-10(15)8-11(12)16/h4-5,8H,6-7,9,16H2,1-3H3,(H,17,18)
InChIKeyRYZHYYWCWIQNHN-UHFFFAOYSA-N
MW284.79 g/mol
LogP3.31
Rot. Bonds5

About N-(2-amino-4-chlorophenyl)-2-(3,3-dimethylbutoxy)acetamide

N-(2-amino-4-chlorophenyl)-2-(3,3-dimethylbutoxy)acetamide (PubChem CID 66234702) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is N-(2-amino-4-chlorophenyl)-2-(3,3-dimethylbutoxy)acetamide.

Molecular Properties

Compound NameN-(2-amino-4-chlorophenyl)-2-(3,3-dimethylbutoxy)acetamide
PubChem CID66234702
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC NameN-(2-amino-4-chlorophenyl)-2-(3,3-dimethylbutoxy)acetamide
SMILESCC(C)(C)CCOCC(=O)Nc1ccc(Cl)cc1N
InChIInChI=1S/C14H21ClN2O2/c1-14(2,3)6-7-19-9-13(18)17-12-5-4-10(15)8-11(12)16/h4-5,8H,6-7,9,16H2,1-3H3,(H,17,18)
InChIKeyRYZHYYWCWIQNHN-UHFFFAOYSA-N
XLogP3.31
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-fluorophenyl)-2-(3,3-dimethylbutoxy)acetamide
CID 66231542
N-(2-amino-4-chlorophenyl)-2-ethoxyacetamide
CID 16791800
N-(2-amino-4-chlorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]acetamide
CID 103176913
N-(2-amino-4-chlorophenyl)-3,3-dimethylbutanamide
CID 16781358
N-(3-amino-4-fluorophenyl)-2-(3,3-dimethylbutoxy)acetamide
CID 66231993
N-(2-amino-4-chlorophenyl)-2-(4-tert-butylphenoxy)acetamide
CID 91688991
N-(2-amino-4-methoxyphenyl)-3-(3,3-dimethylbutoxy)propanamide
CID 66232216
N-(2-amino-5-chlorophenyl)-2-pentoxyacetamide
CID 43274990
N-(2-amino-4-chlorophenyl)-3-(2-methylbutan-2-yloxy)propanamide
CID 28995562
N-(2-amino-4-chlorophenyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 29045302
N-(2-amino-5-chlorophenyl)-2-heptoxyacetamide
CID 43127087
N-(2-amino-5-chlorophenyl)-2-[3-(2-methoxyethoxy)propoxy]acetamide
CID 103401181

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-chlorophenyl)-2-(3,3-dimethylbutoxy)acetamide?
The IUPAC name of N-(2-amino-4-chlorophenyl)-2-(3,3-dimethylbutoxy)acetamide (CID 66234702) is N-(2-amino-4-chlorophenyl)-2-(3,3-dimethylbutoxy)acetamide.
What is the SMILES notation for N-(2-amino-4-chlorophenyl)-2-(3,3-dimethylbutoxy)acetamide?
The canonical SMILES for N-(2-amino-4-chlorophenyl)-2-(3,3-dimethylbutoxy)acetamide is CC(C)(C)CCOCC(=O)Nc1ccc(Cl)cc1N.
What is the InChIKey of N-(2-amino-4-chlorophenyl)-2-(3,3-dimethylbutoxy)acetamide?
The InChIKey is RYZHYYWCWIQNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-14(2,3)6-7-19-9-13(18)17-12-5-4-10(15)8-11(12)16/h4-5,8H,6-7,9,16H2,1-3H3,(H,17,18).
What are the key properties of N-(2-amino-4-chlorophenyl)-2-(3,3-dimethylbutoxy)acetamide?
N-(2-amino-4-chlorophenyl)-2-(3,3-dimethylbutoxy)acetamide has a molecular weight of 284.79 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-chlorophenyl)-2-(3,3-dimethylbutoxy)acetamide is sourced from PubChem (CID 66234702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).