N-(3-amino-4-ethylphenyl)-3-propoxypropanamide

C14H22N2O2 — CID 62688579

IUPACN-(3-amino-4-ethylphenyl)-3-propoxypropanamide
SMILESCCCOCCC(=O)Nc1ccc(CC)c(N)c1
InChIInChI=1S/C14H22N2O2/c1-3-8-18-9-7-14(17)16-12-6-5-11(4-2)13(15)10-12/h5-6,10H,3-4,7-9,15H2,1-2H3,(H,16,17)
InChIKeyXRXVFTWLUAZVKD-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.59
Rot. Bonds7

About N-(3-amino-4-ethylphenyl)-3-propoxypropanamide

N-(3-amino-4-ethylphenyl)-3-propoxypropanamide (PubChem CID 62688579) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-(3-amino-4-ethylphenyl)-3-propoxypropanamide.

Molecular Properties

Compound NameN-(3-amino-4-ethylphenyl)-3-propoxypropanamide
PubChem CID62688579
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-(3-amino-4-ethylphenyl)-3-propoxypropanamide
SMILESCCCOCCC(=O)Nc1ccc(CC)c(N)c1
InChIInChI=1S/C14H22N2O2/c1-3-8-18-9-7-14(17)16-12-6-5-11(4-2)13(15)10-12/h5-6,10H,3-4,7-9,15H2,1-2H3,(H,16,17)
InChIKeyXRXVFTWLUAZVKD-UHFFFAOYSA-N
XLogP2.59
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.59
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-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-3-propoxypropanamide
CID 65483564
N-(3-amino-4-chlorophenyl)-4-(2-propoxyethoxy)butanamide
CID 63686148
N-(3-amino-4-chlorophenyl)-3-(3,3-dimethylbutoxy)propanamide
CID 66234466
N-(4-methyl-3-sulfamoylphenyl)-3-propoxypropanamide
CID 62716850
N-(3-amino-4-fluorophenyl)-3-hexoxypropanamide
CID 28995626
N-(4-bromophenyl)-3-propoxypropanamide
CID 55208743
N-(3-amino-4-fluorophenyl)-3-[2-(2-methoxyethoxy)ethoxy]propanamide
CID 104560204
2-bromo-5-(3-propoxypropanoylamino)benzoic acid
CID 113281067
N-(3-carbamothioyl-4-fluorophenyl)-3-propoxypropanamide
CID 62716666
N-(3-amino-5-fluorophenyl)-3-propoxypropanamide
CID 107334000
N-(3-amino-4-chlorophenyl)-4-pentoxybutanamide
CID 43274939
N-(2-amino-5-chlorophenyl)-3-propoxypropanamide
CID 43247865

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-ethylphenyl)-3-propoxypropanamide?
The IUPAC name of N-(3-amino-4-ethylphenyl)-3-propoxypropanamide (CID 62688579) is N-(3-amino-4-ethylphenyl)-3-propoxypropanamide.
What is the SMILES notation for N-(3-amino-4-ethylphenyl)-3-propoxypropanamide?
The canonical SMILES for N-(3-amino-4-ethylphenyl)-3-propoxypropanamide is CCCOCCC(=O)Nc1ccc(CC)c(N)c1.
What is the InChIKey of N-(3-amino-4-ethylphenyl)-3-propoxypropanamide?
The InChIKey is XRXVFTWLUAZVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-8-18-9-7-14(17)16-12-6-5-11(4-2)13(15)10-12/h5-6,10H,3-4,7-9,15H2,1-2H3,(H,16,17).
What are the key properties of N-(3-amino-4-ethylphenyl)-3-propoxypropanamide?
N-(3-amino-4-ethylphenyl)-3-propoxypropanamide has a molecular weight of 250.34 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-ethylphenyl)-3-propoxypropanamide is sourced from PubChem (CID 62688579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).