N-(2-amino-5-chlorophenyl)-2-(4-methylpentoxy)propanamide

C15H23ClN2O2 — CID 43127174

IUPACN-(2-amino-5-chlorophenyl)-2-(4-methylpentoxy)propanamide
SMILESCC(C)CCCOC(C)C(=O)Nc1cc(Cl)ccc1N
InChIInChI=1S/C15H23ClN2O2/c1-10(2)5-4-8-20-11(3)15(19)18-14-9-12(16)6-7-13(14)17/h6-7,9-11H,4-5,8,17H2,1-3H3,(H,18,19)
InChIKeyIXZAPMPUZLOAPF-UHFFFAOYSA-N
MW298.81 g/mol
LogP3.70
Rot. Bonds7

About N-(2-amino-5-chlorophenyl)-2-(4-methylpentoxy)propanamide

N-(2-amino-5-chlorophenyl)-2-(4-methylpentoxy)propanamide (PubChem CID 43127174) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-2-(4-methylpentoxy)propanamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-2-(4-methylpentoxy)propanamide
PubChem CID43127174
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC NameN-(2-amino-5-chlorophenyl)-2-(4-methylpentoxy)propanamide
SMILESCC(C)CCCOC(C)C(=O)Nc1cc(Cl)ccc1N
InChIInChI=1S/C15H23ClN2O2/c1-10(2)5-4-8-20-11(3)15(19)18-14-9-12(16)6-7-13(14)17/h6-7,9-11H,4-5,8,17H2,1-3H3,(H,18,19)
InChIKeyIXZAPMPUZLOAPF-UHFFFAOYSA-N
XLogP3.70
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 53.70
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-5-chlorophenyl)-2-pentoxypropanamide
CID 43274945
N-(2-amino-5-chlorophenyl)-2-(2,2-difluoroethoxy)propanamide
CID 82005140
N-(2-amino-5-chlorophenyl)-4-(4-methylpentoxy)butanamide
CID 28995438
N-(2-amino-4-chlorophenyl)-2-(3-methoxypropoxy)propanamide
CID 54936288
N-(2-amino-5-chlorophenyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 16794251
N-(2-amino-5-chlorophenyl)-2-methylpentanamide
CID 43209694
N-(2-amino-5-methoxyphenyl)-2-(3-methylbutoxy)propanamide
CID 119421306
N-(2-amino-4-chlorophenyl)-2-(4,4,4-trifluorobutoxy)propanamide
CID 82780960
N-(2-amino-5-chlorophenyl)-2-(3-methylbutylsulfanyl)propanamide
CID 107749184
N-(2-amino-5-chlorophenyl)-2-ethylhexanamide
CID 43125435
N-(2-amino-5-chlorophenyl)-2-(4-iodophenoxy)propanamide
CID 43327290
[(2S)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 4-methylpentanoate
CID 7848170

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-2-(4-methylpentoxy)propanamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-2-(4-methylpentoxy)propanamide (CID 43127174) is N-(2-amino-5-chlorophenyl)-2-(4-methylpentoxy)propanamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-2-(4-methylpentoxy)propanamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-2-(4-methylpentoxy)propanamide is CC(C)CCCOC(C)C(=O)Nc1cc(Cl)ccc1N.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-2-(4-methylpentoxy)propanamide?
The InChIKey is IXZAPMPUZLOAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-10(2)5-4-8-20-11(3)15(19)18-14-9-12(16)6-7-13(14)17/h6-7,9-11H,4-5,8,17H2,1-3H3,(H,18,19).
What are the key properties of N-(2-amino-5-chlorophenyl)-2-(4-methylpentoxy)propanamide?
N-(2-amino-5-chlorophenyl)-2-(4-methylpentoxy)propanamide has a molecular weight of 298.81 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-chlorophenyl)-2-(4-methylpentoxy)propanamide is sourced from PubChem (CID 43127174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).