N-(4-amino-2-chlorophenyl)-2-(2-butoxyethoxy)propanamide

C15H23ClN2O3 — CID 43127117

IUPACN-(4-amino-2-chlorophenyl)-2-(2-butoxyethoxy)propanamide
SMILESCCCCOCCOC(C)C(=O)Nc1ccc(N)cc1Cl
InChIInChI=1S/C15H23ClN2O3/c1-3-4-7-20-8-9-21-11(2)15(19)18-14-6-5-12(17)10-13(14)16/h5-6,10-11H,3-4,7-9,17H2,1-2H3,(H,18,19)
InChIKeyMVAUDXUGPZSPBG-UHFFFAOYSA-N
MW314.81 g/mol
LogP3.08
Rot. Bonds9

About N-(4-amino-2-chlorophenyl)-2-(2-butoxyethoxy)propanamide

N-(4-amino-2-chlorophenyl)-2-(2-butoxyethoxy)propanamide (PubChem CID 43127117) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-2-(2-butoxyethoxy)propanamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-2-(2-butoxyethoxy)propanamide
PubChem CID43127117
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC NameN-(4-amino-2-chlorophenyl)-2-(2-butoxyethoxy)propanamide
SMILESCCCCOCCOC(C)C(=O)Nc1ccc(N)cc1Cl
InChIInChI=1S/C15H23ClN2O3/c1-3-4-7-20-8-9-21-11(2)15(19)18-14-6-5-12(17)10-13(14)16/h5-6,10-11H,3-4,7-9,17H2,1-2H3,(H,18,19)
InChIKeyMVAUDXUGPZSPBG-UHFFFAOYSA-N
XLogP3.08
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
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-(4-amino-2-chlorophenyl)-2-(2-propoxyethoxy)propanamide
CID 63686885
N-(4-amino-2-chlorophenyl)-2-[2-(2-methylpropoxy)ethoxy]propanamide
CID 106447019
N-(2-aminophenyl)-2-(2-butoxyethoxy)propanamide
CID 43127114
N-(4-amino-2-chlorophenyl)-2-butan-2-yloxypropanamide
CID 54943567
N-(4-amino-2-chlorophenyl)-2-methoxypropanamide
CID 16788780
N-(5-amino-2-fluorophenyl)-2-butoxypropanamide
CID 43267510
N-(4-amino-2-chlorophenyl)-2-(4-chlorophenoxy)propanamide
CID 43078576
N-(5-amino-2-methylphenyl)-2-[2-(2-methoxyethoxy)ethoxy]propanamide
CID 104560223
N-(4-amino-2-chlorophenyl)-4-hexoxybutanamide
CID 28995617
N-(4-amino-2-methylphenyl)-2-heptoxypropanamide
CID 43127072
N-(4-amino-2-chlorophenyl)-2-(cyclohexylmethoxy)propanamide
CID 62382552
N-(4-amino-2,6-dichlorophenyl)-2-(2-ethoxyethoxy)propanamide
CID 43093302

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-2-(2-butoxyethoxy)propanamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-2-(2-butoxyethoxy)propanamide (CID 43127117) is N-(4-amino-2-chlorophenyl)-2-(2-butoxyethoxy)propanamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-2-(2-butoxyethoxy)propanamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-2-(2-butoxyethoxy)propanamide is CCCCOCCOC(C)C(=O)Nc1ccc(N)cc1Cl.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-2-(2-butoxyethoxy)propanamide?
The InChIKey is MVAUDXUGPZSPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O3/c1-3-4-7-20-8-9-21-11(2)15(19)18-14-6-5-12(17)10-13(14)16/h5-6,10-11H,3-4,7-9,17H2,1-2H3,(H,18,19).
What are the key properties of N-(4-amino-2-chlorophenyl)-2-(2-butoxyethoxy)propanamide?
N-(4-amino-2-chlorophenyl)-2-(2-butoxyethoxy)propanamide has a molecular weight of 314.81 g/mol, XLogP of 3.08, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-chlorophenyl)-2-(2-butoxyethoxy)propanamide is sourced from PubChem (CID 43127117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).