N-(5-amino-2-methylphenyl)-4-ethoxybutanamide

C13H20N2O2 — CID 16793832

IUPACN-(5-amino-2-methylphenyl)-4-ethoxybutanamide
SMILESCCOCCCC(=O)Nc1cc(N)ccc1C
InChIInChI=1S/C13H20N2O2/c1-3-17-8-4-5-13(16)15-12-9-11(14)7-6-10(12)2/h6-7,9H,3-5,8,14H2,1-2H3,(H,15,16)
InChIKeyQNBZVEMDFQLYLF-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.33
Rot. Bonds6

About N-(5-amino-2-methylphenyl)-4-ethoxybutanamide

N-(5-amino-2-methylphenyl)-4-ethoxybutanamide (PubChem CID 16793832) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-4-ethoxybutanamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-4-ethoxybutanamide
PubChem CID16793832
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-(5-amino-2-methylphenyl)-4-ethoxybutanamide
SMILESCCOCCCC(=O)Nc1cc(N)ccc1C
InChIInChI=1S/C13H20N2O2/c1-3-17-8-4-5-13(16)15-12-9-11(14)7-6-10(12)2/h6-7,9H,3-5,8,14H2,1-2H3,(H,15,16)
InChIKeyQNBZVEMDFQLYLF-UHFFFAOYSA-N
XLogP2.33
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.33
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-(5-amino-2-methylphenyl)-4-(3,3,3-trifluoropropoxy)butanamide
CID 82961312
N-(5-amino-2-methylphenyl)-4-(2-phenylethoxy)butanamide
CID 120569249
N-(5-amino-2-methylphenyl)-4-butan-2-yloxybutanamide
CID 54943854
N-(5-amino-2-methylphenyl)-4-(2-methylphenoxy)butanamide
CID 16793907
N'-(5-amino-2-methylphenyl)-N-propylpentanediamide
CID 120568724
N-(5-amino-2-methylphenyl)-4-methylsulfanylbutanamide
CID 61025006
7-amino-N-(5-amino-2-methylphenyl)heptanamide
CID 122081266
N-(5-amino-2-methylphenyl)-2-pentoxyacetamide;hydrochloride
CID 120568568
N-(5-amino-2-methylphenyl)-4-(dipropylamino)butanamide
CID 16778780
N-(5-amino-2-methylphenyl)-4-(dipropylamino)butanamide;dihydrochloride
CID 120569210
N-(5-amino-2-methylphenyl)-3-(cyclopentylmethoxy)propanamide
CID 66322376
N-(5-amino-2-methylphenyl)-4-(2-methoxyethylsulfonyl)butanamide
CID 43446193

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-4-ethoxybutanamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-4-ethoxybutanamide (CID 16793832) is N-(5-amino-2-methylphenyl)-4-ethoxybutanamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-4-ethoxybutanamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-4-ethoxybutanamide is CCOCCCC(=O)Nc1cc(N)ccc1C.
What is the InChIKey of N-(5-amino-2-methylphenyl)-4-ethoxybutanamide?
The InChIKey is QNBZVEMDFQLYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-17-8-4-5-13(16)15-12-9-11(14)7-6-10(12)2/h6-7,9H,3-5,8,14H2,1-2H3,(H,15,16).
What are the key properties of N-(5-amino-2-methylphenyl)-4-ethoxybutanamide?
N-(5-amino-2-methylphenyl)-4-ethoxybutanamide has a molecular weight of 236.31 g/mol, XLogP of 2.33, 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-ethoxybutanamide is sourced from PubChem (CID 16793832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).