4-(4-acetylphenoxy)-N-(3-aminopropyl)butanamide

C15H22N2O3 — CID 119405386

IUPAC4-(4-acetylphenoxy)-N-(3-aminopropyl)butanamide
SMILESCC(=O)c1ccc(OCCCC(=O)NCCCN)cc1
InChIInChI=1S/C15H22N2O3/c1-12(18)13-5-7-14(8-6-13)20-11-2-4-15(19)17-10-3-9-16/h5-8H,2-4,9-11,16H2,1H3,(H,17,19)
InChIKeyODSPLYNAEYRGGT-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.51
Rot. Bonds9

About 4-(4-acetylphenoxy)-N-(3-aminopropyl)butanamide

4-(4-acetylphenoxy)-N-(3-aminopropyl)butanamide (PubChem CID 119405386) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-(4-acetylphenoxy)-N-(3-aminopropyl)butanamide.

Molecular Properties

Compound Name4-(4-acetylphenoxy)-N-(3-aminopropyl)butanamide
PubChem CID119405386
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name4-(4-acetylphenoxy)-N-(3-aminopropyl)butanamide
SMILESCC(=O)c1ccc(OCCCC(=O)NCCCN)cc1
InChIInChI=1S/C15H22N2O3/c1-12(18)13-5-7-14(8-6-13)20-11-2-4-15(19)17-10-3-9-16/h5-8H,2-4,9-11,16H2,1H3,(H,17,19)
InChIKeyODSPLYNAEYRGGT-UHFFFAOYSA-N
XLogP1.51
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[4-(4-acetylphenoxy)butanoylamino]-2-methylpropanoic acid
CID 119236840
N-(2-aminoethyl)-4-(4-ethoxyphenoxy)butanamide
CID 119382448
N-(3-aminopropyl)-3-(4-ethylphenoxy)propanamide
CID 110834162
N-[2-[4-(4-acetylphenoxy)butanoylamino]ethyl]-6-(2,5-dihydropyrrol-1-yl)hexanamide
CID 134496658
4-amino-N-[4-(4-fluorophenoxy)butyl]butanamide
CID 119274703
4-(4-acetylphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 2677349
N-(2-aminoethyl)-4-(4-formylphenoxy)butanamide
CID 39163097
4-amino-N-[2-(4-chlorophenoxy)ethyl]butanamide;hydrochloride
CID 119271547
6-amino-N-(3-phenoxypropyl)hexanamide
CID 62074464
N-(3-aminopropyl)-4-(2-methoxyethoxy)benzamide;hydrochloride
CID 119406862
4-(4-acetylphenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide
CID 120653275
4-(4-acetylphenoxy)-N-[3-(aminomethyl)pentan-3-yl]butanamide;hydrochloride
CID 119569106

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylphenoxy)-N-(3-aminopropyl)butanamide?
The IUPAC name of 4-(4-acetylphenoxy)-N-(3-aminopropyl)butanamide (CID 119405386) is 4-(4-acetylphenoxy)-N-(3-aminopropyl)butanamide.
What is the SMILES notation for 4-(4-acetylphenoxy)-N-(3-aminopropyl)butanamide?
The canonical SMILES for 4-(4-acetylphenoxy)-N-(3-aminopropyl)butanamide is CC(=O)c1ccc(OCCCC(=O)NCCCN)cc1.
What is the InChIKey of 4-(4-acetylphenoxy)-N-(3-aminopropyl)butanamide?
The InChIKey is ODSPLYNAEYRGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-12(18)13-5-7-14(8-6-13)20-11-2-4-15(19)17-10-3-9-16/h5-8H,2-4,9-11,16H2,1H3,(H,17,19).
What are the key properties of 4-(4-acetylphenoxy)-N-(3-aminopropyl)butanamide?
4-(4-acetylphenoxy)-N-(3-aminopropyl)butanamide has a molecular weight of 278.35 g/mol, XLogP of 1.51, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylphenoxy)-N-(3-aminopropyl)butanamide is sourced from PubChem (CID 119405386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).