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

C15H23ClN2O3 — CID 63685216

IUPACN-(2-amino-4-chlorophenyl)-4-(2-propoxyethoxy)butanamide
SMILESCCCOCCOCCCC(=O)Nc1ccc(Cl)cc1N
InChIInChI=1S/C15H23ClN2O3/c1-2-7-20-9-10-21-8-3-4-15(19)18-14-6-5-12(16)11-13(14)17/h5-6,11H,2-4,7-10,17H2,1H3,(H,18,19)
InChIKeyPFRFWSABCHVWCS-UHFFFAOYSA-N
MW314.81 g/mol
LogP3.08
Rot. Bonds10

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

N-(2-amino-4-chlorophenyl)-4-(2-propoxyethoxy)butanamide (PubChem CID 63685216) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is N-(2-amino-4-chlorophenyl)-4-(2-propoxyethoxy)butanamide.

Molecular Properties

Compound NameN-(2-amino-4-chlorophenyl)-4-(2-propoxyethoxy)butanamide
PubChem CID63685216
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC NameN-(2-amino-4-chlorophenyl)-4-(2-propoxyethoxy)butanamide
SMILESCCCOCCOCCCC(=O)Nc1ccc(Cl)cc1N
InChIInChI=1S/C15H23ClN2O3/c1-2-7-20-9-10-21-8-3-4-15(19)18-14-6-5-12(16)11-13(14)17/h5-6,11H,2-4,7-10,17H2,1H3,(H,18,19)
InChIKeyPFRFWSABCHVWCS-UHFFFAOYSA-N
XLogP3.08
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-5-chlorophenyl)-3-propoxypropanamide
CID 43247865
N-(2-amino-4-chlorophenyl)-4-(2-cyclobutylethoxy)butanamide
CID 106200088
N-(3-amino-4-chlorophenyl)-4-(2-propoxyethoxy)butanamide
CID 63686148
N-(2-amino-4-chlorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]acetamide
CID 103176913
N-(2-amino-4-methoxyphenyl)-4-pentoxybutanamide
CID 43274979
N-(2-amino-5-chlorophenyl)-4-(4-methylpentoxy)butanamide
CID 28995438
N-(2-amino-4-chlorophenyl)-4-cyclohexyloxybutanamide
CID 28549857
N-(4-amino-2-chlorophenyl)-4-hexoxybutanamide
CID 28995617
N-(2-amino-4-fluorophenyl)-3-(2-butoxyethoxy)propanamide
CID 28995195
N-(3-amino-2-methylphenyl)-4-propoxybutanamide
CID 43247848
methyl 4-(2-amino-4-chloroanilino)-4-oxobutanoate
CID 175254190
N-(2-amino-4-chlorophenyl)-2-ethoxyacetamide
CID 16791800

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-chlorophenyl)-4-(2-propoxyethoxy)butanamide?
The IUPAC name of N-(2-amino-4-chlorophenyl)-4-(2-propoxyethoxy)butanamide (CID 63685216) is N-(2-amino-4-chlorophenyl)-4-(2-propoxyethoxy)butanamide.
What is the SMILES notation for N-(2-amino-4-chlorophenyl)-4-(2-propoxyethoxy)butanamide?
The canonical SMILES for N-(2-amino-4-chlorophenyl)-4-(2-propoxyethoxy)butanamide is CCCOCCOCCCC(=O)Nc1ccc(Cl)cc1N.
What is the InChIKey of N-(2-amino-4-chlorophenyl)-4-(2-propoxyethoxy)butanamide?
The InChIKey is PFRFWSABCHVWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O3/c1-2-7-20-9-10-21-8-3-4-15(19)18-14-6-5-12(16)11-13(14)17/h5-6,11H,2-4,7-10,17H2,1H3,(H,18,19).
What are the key properties of N-(2-amino-4-chlorophenyl)-4-(2-propoxyethoxy)butanamide?
N-(2-amino-4-chlorophenyl)-4-(2-propoxyethoxy)butanamide has a molecular weight of 314.81 g/mol, XLogP of 3.08, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-chlorophenyl)-4-(2-propoxyethoxy)butanamide is sourced from PubChem (CID 63685216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).