N-(2-aminophenyl)-4-(4-methylphenoxy)butanamide

C17H20N2O2 — CID 18071037

IUPACN-(2-aminophenyl)-4-(4-methylphenoxy)butanamide
SMILESCc1ccc(OCCCC(=O)Nc2ccccc2N)cc1
InChIInChI=1S/C17H20N2O2/c1-13-8-10-14(11-9-13)21-12-4-7-17(20)19-16-6-3-2-5-15(16)18/h2-3,5-6,8-11H,4,7,12,18H2,1H3,(H,19,20)
InChIKeyTXMVDPXQUMJAIE-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.37
Rot. Bonds6

About N-(2-aminophenyl)-4-(4-methylphenoxy)butanamide

N-(2-aminophenyl)-4-(4-methylphenoxy)butanamide (PubChem CID 18071037) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-(4-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-(4-methylphenoxy)butanamide
PubChem CID18071037
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-(2-aminophenyl)-4-(4-methylphenoxy)butanamide
SMILESCc1ccc(OCCCC(=O)Nc2ccccc2N)cc1
InChIInChI=1S/C17H20N2O2/c1-13-8-10-14(11-9-13)21-12-4-7-17(20)19-16-6-3-2-5-15(16)18/h2-3,5-6,8-11H,4,7,12,18H2,1H3,(H,19,20)
InChIKeyTXMVDPXQUMJAIE-UHFFFAOYSA-N
XLogP3.37
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.37
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-aminophenyl)-4-(4-iodophenoxy)butanamide
CID 43327303
N-(2-aminophenyl)-4-(3,4-dimethylphenoxy)butanamide;hydrochloride
CID 119422856
N-(2-aminophenyl)-3-phenoxypropanamide
CID 16790214
N-(2-aminophenyl)-4-methoxybutanamide;hydrochloride
CID 119422032
2-[4-(4-methylphenoxy)butanoylamino]-N-propan-2-ylbenzamide
CID 21173388
N-[2-(3-aminopropanoylamino)phenyl]-4-phenoxybutanamide
CID 82034361
3-[3-(2-aminoanilino)-3-oxopropoxy]-N-(4-methylphenyl)propanamide
CID 45255323
N,N-diethyl-2-[4-(4-methylphenoxy)butanoylamino]benzamide
CID 21368478
4-(4-methylphenoxy)-N-(2-morpholin-4-ylphenyl)butanamide
CID 7922267
N-(2-aminophenyl)-5-methoxypentanamide
CID 119422437
4-(4-ethoxyphenoxy)-N-(2-methylphenyl)butanamide
CID 7946732
N-(2-amino-5-chlorophenyl)-4-phenoxybutanamide
CID 28515757

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-(4-methylphenoxy)butanamide?
The IUPAC name of N-(2-aminophenyl)-4-(4-methylphenoxy)butanamide (CID 18071037) is N-(2-aminophenyl)-4-(4-methylphenoxy)butanamide.
What is the SMILES notation for N-(2-aminophenyl)-4-(4-methylphenoxy)butanamide?
The canonical SMILES for N-(2-aminophenyl)-4-(4-methylphenoxy)butanamide is Cc1ccc(OCCCC(=O)Nc2ccccc2N)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-(4-methylphenoxy)butanamide?
The InChIKey is TXMVDPXQUMJAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-13-8-10-14(11-9-13)21-12-4-7-17(20)19-16-6-3-2-5-15(16)18/h2-3,5-6,8-11H,4,7,12,18H2,1H3,(H,19,20).
What are the key properties of N-(2-aminophenyl)-4-(4-methylphenoxy)butanamide?
N-(2-aminophenyl)-4-(4-methylphenoxy)butanamide has a molecular weight of 284.36 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-(4-methylphenoxy)butanamide is sourced from PubChem (CID 18071037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).