N-(5-amino-2-methylphenyl)-4-(2-methylphenoxy)butanamide

C18H22N2O2 — CID 16793907

IUPACN-(5-amino-2-methylphenyl)-4-(2-methylphenoxy)butanamide
SMILESCc1ccc(N)cc1NC(=O)CCCOc1ccccc1C
InChIInChI=1S/C18H22N2O2/c1-13-9-10-15(19)12-16(13)20-18(21)8-5-11-22-17-7-4-3-6-14(17)2/h3-4,6-7,9-10,12H,5,8,11,19H2,1-2H3,(H,20,21)
InChIKeyWIMPHIXNNSQLDI-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.68
Rot. Bonds6

About N-(5-amino-2-methylphenyl)-4-(2-methylphenoxy)butanamide

N-(5-amino-2-methylphenyl)-4-(2-methylphenoxy)butanamide (PubChem CID 16793907) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-4-(2-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-4-(2-methylphenoxy)butanamide
PubChem CID16793907
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-(5-amino-2-methylphenyl)-4-(2-methylphenoxy)butanamide
SMILESCc1ccc(N)cc1NC(=O)CCCOc1ccccc1C
InChIInChI=1S/C18H22N2O2/c1-13-9-10-15(19)12-16(13)20-18(21)8-5-11-22-17-7-4-3-6-14(17)2/h3-4,6-7,9-10,12H,5,8,11,19H2,1-2H3,(H,20,21)
InChIKeyWIMPHIXNNSQLDI-UHFFFAOYSA-N
XLogP3.68
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.68
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

4-(2-methylphenoxy)-N-(2-methylphenyl)butanamide
CID 19173284
N-(5-amino-2-methylphenyl)-4-ethoxybutanamide
CID 16793832
N-(5-amino-2-methylphenyl)-3-(2-cyanophenoxy)propanamide
CID 18069922
N-(5-amino-2-methylphenyl)-4-(2-phenylethoxy)butanamide
CID 120569249
N-(5-amino-2-methylphenyl)-4-butan-2-yloxybutanamide
CID 54943854
methyl 4-methyl-3-[3-(2-methylphenoxy)propanoylamino]benzoate
CID 8920295
7-amino-N-(5-amino-2-methylphenyl)heptanamide
CID 122081266
N-(5-amino-2-methylphenyl)-4-methylsulfanylbutanamide
CID 61025006
N-(5-amino-2-methylphenyl)-4-(3,3,3-trifluoropropoxy)butanamide
CID 82961312
4-hydroxy-3-[4-(2-methylphenoxy)butanoylamino]benzoic acid
CID 108753983
N-(5-amino-2-methylphenyl)-4-pyrimidin-2-ylsulfanylbutanamide
CID 28533558
N-(5-amino-2-methylphenyl)-2-phenoxyacetamide
CID 16794397

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-4-(2-methylphenoxy)butanamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-4-(2-methylphenoxy)butanamide (CID 16793907) is N-(5-amino-2-methylphenyl)-4-(2-methylphenoxy)butanamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-4-(2-methylphenoxy)butanamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-4-(2-methylphenoxy)butanamide is Cc1ccc(N)cc1NC(=O)CCCOc1ccccc1C.
What is the InChIKey of N-(5-amino-2-methylphenyl)-4-(2-methylphenoxy)butanamide?
The InChIKey is WIMPHIXNNSQLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-13-9-10-15(19)12-16(13)20-18(21)8-5-11-22-17-7-4-3-6-14(17)2/h3-4,6-7,9-10,12H,5,8,11,19H2,1-2H3,(H,20,21).
What are the key properties of N-(5-amino-2-methylphenyl)-4-(2-methylphenoxy)butanamide?
N-(5-amino-2-methylphenyl)-4-(2-methylphenoxy)butanamide has a molecular weight of 298.39 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-4-(2-methylphenoxy)butanamide is sourced from PubChem (CID 16793907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).