N-(2-aminophenyl)-2-(2-butoxyethoxy)propanamide

C15H24N2O3 — CID 43127114

IUPACN-(2-aminophenyl)-2-(2-butoxyethoxy)propanamide
SMILESCCCCOCCOC(C)C(=O)Nc1ccccc1N
InChIInChI=1S/C15H24N2O3/c1-3-4-9-19-10-11-20-12(2)15(18)17-14-8-6-5-7-13(14)16/h5-8,12H,3-4,9-11,16H2,1-2H3,(H,17,18)
InChIKeyKZXQWAWONRANRK-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.43
Rot. Bonds9

About N-(2-aminophenyl)-2-(2-butoxyethoxy)propanamide

N-(2-aminophenyl)-2-(2-butoxyethoxy)propanamide (PubChem CID 43127114) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-(2-aminophenyl)-2-(2-butoxyethoxy)propanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-2-(2-butoxyethoxy)propanamide
PubChem CID43127114
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC NameN-(2-aminophenyl)-2-(2-butoxyethoxy)propanamide
SMILESCCCCOCCOC(C)C(=O)Nc1ccccc1N
InChIInChI=1S/C15H24N2O3/c1-3-4-9-19-10-11-20-12(2)15(18)17-14-8-6-5-7-13(14)16/h5-8,12H,3-4,9-11,16H2,1-2H3,(H,17,18)
InChIKeyKZXQWAWONRANRK-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-(4-amino-2-chlorophenyl)-2-(2-butoxyethoxy)propanamide
CID 43127117
N-(2-aminophenyl)-2-but-3-enoxypropanamide;hydrochloride
CID 119422818
2-[2-(2-butoxypropanoylamino)phenyl]acetic acid
CID 119218365
2-butoxy-N-(2-carbamothioylphenyl)propanamide
CID 43267700
N-(2-amino-5-methoxyphenyl)-2-(2-ethoxyethoxy)propanamide
CID 119421324
N-(2-cyanophenyl)-2-(2-propoxyethoxy)propanamide
CID 63686205
N-(2-amino-5-chlorophenyl)-2-pentoxypropanamide
CID 43274945
N-(2-aminophenyl)-2-[(2-chlorophenyl)methoxy]propanamide
CID 43110228
N-(2-aminophenyl)-2-(2-methylbutan-2-yloxy)propanamide
CID 43127203
N-(2-aminophenyl)-2-butylsulfinylpropanamide
CID 61287849
[1-(2-aminoanilino)-1-oxopropan-2-yl] acetate
CID 167409598
N-(2-tert-butylphenyl)-2-(2-ethoxyethoxy)propanamide
CID 60546063

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-2-(2-butoxyethoxy)propanamide?
The IUPAC name of N-(2-aminophenyl)-2-(2-butoxyethoxy)propanamide (CID 43127114) is N-(2-aminophenyl)-2-(2-butoxyethoxy)propanamide.
What is the SMILES notation for N-(2-aminophenyl)-2-(2-butoxyethoxy)propanamide?
The canonical SMILES for N-(2-aminophenyl)-2-(2-butoxyethoxy)propanamide is CCCCOCCOC(C)C(=O)Nc1ccccc1N.
What is the InChIKey of N-(2-aminophenyl)-2-(2-butoxyethoxy)propanamide?
The InChIKey is KZXQWAWONRANRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-3-4-9-19-10-11-20-12(2)15(18)17-14-8-6-5-7-13(14)16/h5-8,12H,3-4,9-11,16H2,1-2H3,(H,17,18).
What are the key properties of N-(2-aminophenyl)-2-(2-butoxyethoxy)propanamide?
N-(2-aminophenyl)-2-(2-butoxyethoxy)propanamide 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)-2-(2-butoxyethoxy)propanamide is sourced from PubChem (CID 43127114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).