N-(3-amino-4-chlorophenyl)-4-(2-propoxyethoxy)butanamide

C15H23ClN2O3 — CID 63686148

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

About N-(3-amino-4-chlorophenyl)-4-(2-propoxyethoxy)butanamide

N-(3-amino-4-chlorophenyl)-4-(2-propoxyethoxy)butanamide (PubChem CID 63686148) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)-4-(2-propoxyethoxy)butanamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)-4-(2-propoxyethoxy)butanamide
PubChem CID63686148
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC NameN-(3-amino-4-chlorophenyl)-4-(2-propoxyethoxy)butanamide
SMILESCCCOCCOCCCC(=O)Nc1ccc(Cl)c(N)c1
InChIInChI=1S/C15H23ClN2O3/c1-2-7-20-9-10-21-8-3-4-15(19)18-12-5-6-13(16)14(17)11-12/h5-6,11H,2-4,7-10,17H2,1H3,(H,18,19)
InChIKeyCLIHSYRARCCUCI-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-(3-amino-4-chlorophenyl)-4-pentoxybutanamide
CID 43274939
N-(3-amino-4-chlorophenyl)decanamide
CID 65447970
N-(2-amino-4-chlorophenyl)-4-(2-propoxyethoxy)butanamide
CID 63685216
N-(3-amino-4-ethylphenyl)-3-propoxypropanamide
CID 62688579
N-(3-amino-4-chlorophenyl)-3-(3,3-dimethylbutoxy)propanamide
CID 66234466
N-(3-amino-4-chlorophenyl)-4-propylsulfonylbutanamide
CID 43444857
N-[3-(aminomethyl)phenyl]-4-(2-propoxyethoxy)butanamide
CID 63684342
N-(3-amino-4-chlorophenyl)-3-pentylsulfanylpropanamide
CID 107748453
N-(3-amino-4-chlorophenyl)-4-[butan-2-yl(methyl)amino]butanamide
CID 43272519
N-(3-amino-4-chlorophenyl)-4-propan-2-ylsulfinylbutanamide
CID 61289260
N-(3-amino-4-chlorophenyl)-4-(2-methylbutylsulfanyl)butanamide
CID 107748971
N-(3-carbamothioylphenyl)-4-propoxybutanamide
CID 43248092

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)-4-(2-propoxyethoxy)butanamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)-4-(2-propoxyethoxy)butanamide (CID 63686148) is N-(3-amino-4-chlorophenyl)-4-(2-propoxyethoxy)butanamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)-4-(2-propoxyethoxy)butanamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)-4-(2-propoxyethoxy)butanamide is CCCOCCOCCCC(=O)Nc1ccc(Cl)c(N)c1.
What is the InChIKey of N-(3-amino-4-chlorophenyl)-4-(2-propoxyethoxy)butanamide?
The InChIKey is CLIHSYRARCCUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O3/c1-2-7-20-9-10-21-8-3-4-15(19)18-12-5-6-13(16)14(17)11-12/h5-6,11H,2-4,7-10,17H2,1H3,(H,18,19).
What are the key properties of N-(3-amino-4-chlorophenyl)-4-(2-propoxyethoxy)butanamide?
N-(3-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-(3-amino-4-chlorophenyl)-4-(2-propoxyethoxy)butanamide is sourced from PubChem (CID 63686148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).