N-(4-amino-2-chlorophenyl)-4-hexoxybutanamide

C16H25ClN2O2 — CID 28995617

IUPACN-(4-amino-2-chlorophenyl)-4-hexoxybutanamide
SMILESCCCCCCOCCCC(=O)Nc1ccc(N)cc1Cl
InChIInChI=1S/C16H25ClN2O2/c1-2-3-4-5-10-21-11-6-7-16(20)19-15-9-8-13(18)12-14(15)17/h8-9,12H,2-7,10-11,18H2,1H3,(H,19,20)
InChIKeyYAHKILDKNNHMDW-UHFFFAOYSA-N
MW312.84 g/mol
LogP4.24
Rot. Bonds10

About N-(4-amino-2-chlorophenyl)-4-hexoxybutanamide

N-(4-amino-2-chlorophenyl)-4-hexoxybutanamide (PubChem CID 28995617) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-4-hexoxybutanamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-4-hexoxybutanamide
PubChem CID28995617
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC NameN-(4-amino-2-chlorophenyl)-4-hexoxybutanamide
SMILESCCCCCCOCCCC(=O)Nc1ccc(N)cc1Cl
InChIInChI=1S/C16H25ClN2O2/c1-2-3-4-5-10-21-11-6-7-16(20)19-15-9-8-13(18)12-14(15)17/h8-9,12H,2-7,10-11,18H2,1H3,(H,19,20)
InChIKeyYAHKILDKNNHMDW-UHFFFAOYSA-N
XLogP4.24
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 54.24
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-(4-amino-2-methylphenyl)-3-hexoxypropanamide
CID 43127219
N-(4-amino-2-chlorophenyl)-4-cyclobutyloxybutanamide
CID 62116153
N-(3-amino-4-chlorophenyl)-4-pentoxybutanamide
CID 43274939
N-(4-amino-2-chlorophenyl)-4-(dipropylamino)butanamide
CID 16778958
N-(2-amino-4-methoxyphenyl)-4-pentoxybutanamide
CID 43274979
N-(2-chloro-4-hydroxyphenyl)nonanamide
CID 65427497
N-(2-amino-4-chlorophenyl)-4-(2-propoxyethoxy)butanamide
CID 63685216
N-(4-amino-2-chlorophenyl)-2-(2-butoxyethoxy)propanamide
CID 43127117
N-(4-amino-2-methoxyphenyl)nonanamide
CID 65447968
N-(4-amino-2-fluorophenyl)heptanamide
CID 28691330
N-(3-aminophenyl)-3-hexoxypropanamide
CID 28995658
N-(4-amino-2-chlorophenyl)-4-[ethyl(methyl)amino]butanamide
CID 43262963

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-4-hexoxybutanamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-4-hexoxybutanamide (CID 28995617) is N-(4-amino-2-chlorophenyl)-4-hexoxybutanamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-4-hexoxybutanamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-4-hexoxybutanamide is CCCCCCOCCCC(=O)Nc1ccc(N)cc1Cl.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-4-hexoxybutanamide?
The InChIKey is YAHKILDKNNHMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O2/c1-2-3-4-5-10-21-11-6-7-16(20)19-15-9-8-13(18)12-14(15)17/h8-9,12H,2-7,10-11,18H2,1H3,(H,19,20).
What are the key properties of N-(4-amino-2-chlorophenyl)-4-hexoxybutanamide?
N-(4-amino-2-chlorophenyl)-4-hexoxybutanamide has a molecular weight of 312.84 g/mol, XLogP of 4.24, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-chlorophenyl)-4-hexoxybutanamide is sourced from PubChem (CID 28995617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).