N-(3-amino-2-methylphenyl)-4-cyclopentyloxybutanamide

C16H24N2O2 — CID 16791407

IUPACN-(3-amino-2-methylphenyl)-4-cyclopentyloxybutanamide
SMILESCc1c(N)cccc1NC(=O)CCCOC1CCCC1
InChIInChI=1S/C16H24N2O2/c1-12-14(17)8-4-9-15(12)18-16(19)10-5-11-20-13-6-2-3-7-13/h4,8-9,13H,2-3,5-7,10-11,17H2,1H3,(H,18,19)
InChIKeyQSXZQEQFHJGMFK-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.26
Rot. Bonds6

About N-(3-amino-2-methylphenyl)-4-cyclopentyloxybutanamide

N-(3-amino-2-methylphenyl)-4-cyclopentyloxybutanamide (PubChem CID 16791407) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(3-amino-2-methylphenyl)-4-cyclopentyloxybutanamide.

Molecular Properties

Compound NameN-(3-amino-2-methylphenyl)-4-cyclopentyloxybutanamide
PubChem CID16791407
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-(3-amino-2-methylphenyl)-4-cyclopentyloxybutanamide
SMILESCc1c(N)cccc1NC(=O)CCCOC1CCCC1
InChIInChI=1S/C16H24N2O2/c1-12-14(17)8-4-9-15(12)18-16(19)10-5-11-20-13-6-2-3-7-13/h4,8-9,13H,2-3,5-7,10-11,17H2,1H3,(H,18,19)
InChIKeyQSXZQEQFHJGMFK-UHFFFAOYSA-N
XLogP3.26
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.26
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-(3-amino-2-methylphenyl)-4-propoxybutanamide
CID 43247848
N-(3-amino-2-methylphenyl)-4-(cyclopentylmethylsulfanyl)butanamide
CID 63119327
N-(3-amino-2-methylphenyl)-4-phenylmethoxybutanamide
CID 16784272
N-(2-amino-4-chlorophenyl)-4-cyclohexyloxybutanamide
CID 28549857
N-(3-amino-2-methylphenyl)-4-(2-methylbutan-2-yloxy)butanamide
CID 28995516
N-(3-amino-2-methylphenyl)-2-(3-methylcyclohexyl)oxyacetamide
CID 43127290
N-(3-aminophenyl)-4-cyclobutyloxybutanamide
CID 62116624
N-(3-amino-2-methylphenyl)-2-[cyclopentyl(methyl)amino]acetamide
CID 43266827
N-(3-amino-2-methylphenyl)-3-[cyclopentyl(ethyl)amino]propanamide
CID 43540741
N-(3-amino-2-methylphenyl)-2-cyclopentylsulfanylacetamide
CID 55136606
N-(4-amino-2-chlorophenyl)-4-cyclobutyloxybutanamide
CID 62116153
N-(3-amino-2-methylphenyl)-3-[(2-methylpropan-2-yl)oxy]propanamide
CID 28995274

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylphenyl)-4-cyclopentyloxybutanamide?
The IUPAC name of N-(3-amino-2-methylphenyl)-4-cyclopentyloxybutanamide (CID 16791407) is N-(3-amino-2-methylphenyl)-4-cyclopentyloxybutanamide.
What is the SMILES notation for N-(3-amino-2-methylphenyl)-4-cyclopentyloxybutanamide?
The canonical SMILES for N-(3-amino-2-methylphenyl)-4-cyclopentyloxybutanamide is Cc1c(N)cccc1NC(=O)CCCOC1CCCC1.
What is the InChIKey of N-(3-amino-2-methylphenyl)-4-cyclopentyloxybutanamide?
The InChIKey is QSXZQEQFHJGMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-14(17)8-4-9-15(12)18-16(19)10-5-11-20-13-6-2-3-7-13/h4,8-9,13H,2-3,5-7,10-11,17H2,1H3,(H,18,19).
What are the key properties of N-(3-amino-2-methylphenyl)-4-cyclopentyloxybutanamide?
N-(3-amino-2-methylphenyl)-4-cyclopentyloxybutanamide has a molecular weight of 276.38 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylphenyl)-4-cyclopentyloxybutanamide is sourced from PubChem (CID 16791407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).