N-(2-amino-4-chlorophenyl)-4-(2-cyclobutylethoxy)butanamide

C16H23ClN2O2 — CID 106200088

IUPACN-(2-amino-4-chlorophenyl)-4-(2-cyclobutylethoxy)butanamide
SMILESNc1cc(Cl)ccc1NC(=O)CCCOCCC1CCC1
InChIInChI=1S/C16H23ClN2O2/c17-13-6-7-15(14(18)11-13)19-16(20)5-2-9-21-10-8-12-3-1-4-12/h6-7,11-12H,1-5,8-10,18H2,(H,19,20)
InChIKeyDBAQCGLYODJPTC-UHFFFAOYSA-N
MW310.82 g/mol
LogP3.85
Rot. Bonds8

About N-(2-amino-4-chlorophenyl)-4-(2-cyclobutylethoxy)butanamide

N-(2-amino-4-chlorophenyl)-4-(2-cyclobutylethoxy)butanamide (PubChem CID 106200088) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is N-(2-amino-4-chlorophenyl)-4-(2-cyclobutylethoxy)butanamide.

Molecular Properties

Compound NameN-(2-amino-4-chlorophenyl)-4-(2-cyclobutylethoxy)butanamide
PubChem CID106200088
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC NameN-(2-amino-4-chlorophenyl)-4-(2-cyclobutylethoxy)butanamide
SMILESNc1cc(Cl)ccc1NC(=O)CCCOCCC1CCC1
InChIInChI=1S/C16H23ClN2O2/c17-13-6-7-15(14(18)11-13)19-16(20)5-2-9-21-10-8-12-3-1-4-12/h6-7,11-12H,1-5,8-10,18H2,(H,19,20)
InChIKeyDBAQCGLYODJPTC-UHFFFAOYSA-N
XLogP3.85
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 53.85
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-chlorophenyl)-4-(2-propoxyethoxy)butanamide
CID 63685216
N-(2-amino-4-chlorophenyl)-4-cyclohexyloxybutanamide
CID 28549857
N-(4-aminophenyl)-4-(2-cyclobutylethoxy)butanamide
CID 106200083
N-(2-amino-4-chlorophenyl)-3-cyclopentyloxypropanamide
CID 16794047
N-(2-amino-4-chlorophenyl)-4-(oxolan-3-yloxy)butanamide
CID 63556620
N-(2-amino-4-chlorophenyl)-4-[cyclopropyl(methyl)amino]butanamide
CID 43264571
N-(5-amino-2-fluorophenyl)-3-(2-cyclopropylethoxy)propanamide
CID 106199880
N-(2-amino-4-chlorophenyl)-4-phenylsulfanylbutanamide
CID 28546369
N-(2-amino-5-chlorophenyl)-4-(4-methylpentoxy)butanamide
CID 28995438
N-(2-amino-4-chlorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]acetamide
CID 103176913
methyl 4-(2-amino-4-chloroanilino)-4-oxobutanoate
CID 175254190
N-(2-amino-4-chlorophenyl)-3-methylsulfanylpropanamide
CID 61023723

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-chlorophenyl)-4-(2-cyclobutylethoxy)butanamide?
The IUPAC name of N-(2-amino-4-chlorophenyl)-4-(2-cyclobutylethoxy)butanamide (CID 106200088) is N-(2-amino-4-chlorophenyl)-4-(2-cyclobutylethoxy)butanamide.
What is the SMILES notation for N-(2-amino-4-chlorophenyl)-4-(2-cyclobutylethoxy)butanamide?
The canonical SMILES for N-(2-amino-4-chlorophenyl)-4-(2-cyclobutylethoxy)butanamide is Nc1cc(Cl)ccc1NC(=O)CCCOCCC1CCC1.
What is the InChIKey of N-(2-amino-4-chlorophenyl)-4-(2-cyclobutylethoxy)butanamide?
The InChIKey is DBAQCGLYODJPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c17-13-6-7-15(14(18)11-13)19-16(20)5-2-9-21-10-8-12-3-1-4-12/h6-7,11-12H,1-5,8-10,18H2,(H,19,20).
What are the key properties of N-(2-amino-4-chlorophenyl)-4-(2-cyclobutylethoxy)butanamide?
N-(2-amino-4-chlorophenyl)-4-(2-cyclobutylethoxy)butanamide has a molecular weight of 310.82 g/mol, XLogP of 3.85, 8 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)-4-(2-cyclobutylethoxy)butanamide is sourced from PubChem (CID 106200088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).