N-(2-aminophenyl)-4-(1-ethoxypropan-2-yloxy)butanamide

C15H24N2O3 — CID 103486961

IUPACN-(2-aminophenyl)-4-(1-ethoxypropan-2-yloxy)butanamide
SMILESCCOCC(C)OCCCC(=O)Nc1ccccc1N
InChIInChI=1S/C15H24N2O3/c1-3-19-11-12(2)20-10-6-9-15(18)17-14-8-5-4-7-13(14)16/h4-5,7-8,12H,3,6,9-11,16H2,1-2H3,(H,17,18)
InChIKeyXMXOMKXMRLNZAV-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.43
Rot. Bonds9

About N-(2-aminophenyl)-4-(1-ethoxypropan-2-yloxy)butanamide

N-(2-aminophenyl)-4-(1-ethoxypropan-2-yloxy)butanamide (PubChem CID 103486961) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-(1-ethoxypropan-2-yloxy)butanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-(1-ethoxypropan-2-yloxy)butanamide
PubChem CID103486961
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC NameN-(2-aminophenyl)-4-(1-ethoxypropan-2-yloxy)butanamide
SMILESCCOCC(C)OCCCC(=O)Nc1ccccc1N
InChIInChI=1S/C15H24N2O3/c1-3-19-11-12(2)20-10-6-9-15(18)17-14-8-5-4-7-13(14)16/h4-5,7-8,12H,3,6,9-11,16H2,1-2H3,(H,17,18)
InChIKeyXMXOMKXMRLNZAV-UHFFFAOYSA-N
XLogP2.43
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-4-fluorophenyl)-4-(1-ethoxypropan-2-yloxy)butanamide
CID 103486787
N-(2-aminophenyl)-4-methoxybutanamide;hydrochloride
CID 119422032
N-(2-aminophenyl)-3-propan-2-yloxypropanamide;hydrochloride
CID 119422035
N-(2-aminophenyl)-5-methoxypentanamide
CID 119422437
N-(2-aminophenyl)octadecanamide
CID 68839220
N-(2-aminophenyl)-4-butan-2-ylsulfonylbutanamide
CID 43444541
4-(2-aminophenoxy)-N-(2-ethoxyphenyl)butanamide
CID 84553851
N-(2-aminophenyl)-4-(4-methylphenoxy)butanamide
CID 18071037
N-(2-aminophenyl)-7-oxoheptanamide
CID 143955349
N-(2-aminophenyl)-4-(3,3,3-trifluoropropoxy)butanamide
CID 82955375
N-(2-aminophenyl)-4-(4-iodophenoxy)butanamide
CID 43327303
N-(2-aminophenyl)-4-[ethyl(2-methylpropyl)amino]butanamide
CID 43273334

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-(1-ethoxypropan-2-yloxy)butanamide?
The IUPAC name of N-(2-aminophenyl)-4-(1-ethoxypropan-2-yloxy)butanamide (CID 103486961) is N-(2-aminophenyl)-4-(1-ethoxypropan-2-yloxy)butanamide.
What is the SMILES notation for N-(2-aminophenyl)-4-(1-ethoxypropan-2-yloxy)butanamide?
The canonical SMILES for N-(2-aminophenyl)-4-(1-ethoxypropan-2-yloxy)butanamide is CCOCC(C)OCCCC(=O)Nc1ccccc1N.
What is the InChIKey of N-(2-aminophenyl)-4-(1-ethoxypropan-2-yloxy)butanamide?
The InChIKey is XMXOMKXMRLNZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-3-19-11-12(2)20-10-6-9-15(18)17-14-8-5-4-7-13(14)16/h4-5,7-8,12H,3,6,9-11,16H2,1-2H3,(H,17,18).
What are the key properties of N-(2-aminophenyl)-4-(1-ethoxypropan-2-yloxy)butanamide?
N-(2-aminophenyl)-4-(1-ethoxypropan-2-yloxy)butanamide has a molecular weight of 280.37 g/mol, XLogP of 2.43, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-(1-ethoxypropan-2-yloxy)butanamide is sourced from PubChem (CID 103486961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).