4-(4-acetylphenoxy)-N-[3-(aminomethyl)pentan-3-yl]butanamide;hydrochloride

C18H29ClN2O3 — CID 119569106

IUPAC4-(4-acetylphenoxy)-N-[3-(aminomethyl)pentan-3-yl]butanamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)CCCOc1ccc(C(C)=O)cc1.Cl
InChIInChI=1S/C18H28N2O3.ClH/c1-4-18(5-2,13-19)20-17(22)7-6-12-23-16-10-8-15(9-11-16)14(3)21;/h8-11H,4-7,12-13,19H2,1-3H3,(H,20,22);1H
InChIKeyYAZIVYSCZZATKQ-UHFFFAOYSA-N
MW356.89 g/mol
LogP3.10
Rot. Bonds10

About 4-(4-acetylphenoxy)-N-[3-(aminomethyl)pentan-3-yl]butanamide;hydrochloride

4-(4-acetylphenoxy)-N-[3-(aminomethyl)pentan-3-yl]butanamide;hydrochloride (PubChem CID 119569106) has the molecular formula C18H29ClN2O3 and a molecular weight of 356.89 g/mol. Its IUPAC name is 4-(4-acetylphenoxy)-N-[3-(aminomethyl)pentan-3-yl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-(4-acetylphenoxy)-N-[3-(aminomethyl)pentan-3-yl]butanamide;hydrochloride
PubChem CID119569106
Molecular FormulaC18H29ClN2O3
Molecular Weight356.89 g/mol
Exact Mass356.19
IUPAC Name4-(4-acetylphenoxy)-N-[3-(aminomethyl)pentan-3-yl]butanamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)CCCOc1ccc(C(C)=O)cc1.Cl
InChIInChI=1S/C18H28N2O3.ClH/c1-4-18(5-2,13-19)20-17(22)7-6-12-23-16-10-8-15(9-11-16)14(3)21;/h8-11H,4-7,12-13,19H2,1-3H3,(H,20,22);1H
InChIKeyYAZIVYSCZZATKQ-UHFFFAOYSA-N
XLogP3.10
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.89
LogP ≤ 53.10
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

N-[3-(aminomethyl)pentan-3-yl]-4-phenoxybutanamide;hydrochloride
CID 119568655
N-[3-(aminomethyl)pentan-3-yl]-5-(4-bromophenoxy)pentanamide;hydrochloride
CID 119568938
N-[3-(aminomethyl)pentan-3-yl]-3-(4-fluorophenoxy)propanamide;hydrochloride
CID 119569552
4-(4-acetylphenoxy)-N-(1-amino-2,3-dimethylbutan-2-yl)butanamide
CID 119605954
4-(4-acetylphenoxy)-N-(3-aminopropyl)butanamide
CID 119405386
N-[3-(aminomethyl)pentan-3-yl]-5-(3-methylphenoxy)pentanamide
CID 119569818
4-(4-fluorophenoxy)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]butanamide
CID 103890959
4-(4-bromophenoxy)-N-[3-(hydroxymethyl)pentan-3-yl]butanamide
CID 62520654
N-[3-(aminomethyl)pentan-3-yl]-2-(4-ethoxyphenoxy)acetamide
CID 119570439
N-(4-acetylphenyl)-4-(4-ethoxyphenoxy)butanamide
CID 7732574
N-[3-(aminomethyl)pentan-3-yl]-5-methoxypentanamide;hydrochloride
CID 119570681
N-[3-(aminomethyl)pentan-3-yl]-2-(4-bromophenoxy)acetamide
CID 119569073

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylphenoxy)-N-[3-(aminomethyl)pentan-3-yl]butanamide;hydrochloride?
The IUPAC name of 4-(4-acetylphenoxy)-N-[3-(aminomethyl)pentan-3-yl]butanamide;hydrochloride (CID 119569106) is 4-(4-acetylphenoxy)-N-[3-(aminomethyl)pentan-3-yl]butanamide;hydrochloride.
What is the SMILES notation for 4-(4-acetylphenoxy)-N-[3-(aminomethyl)pentan-3-yl]butanamide;hydrochloride?
The canonical SMILES for 4-(4-acetylphenoxy)-N-[3-(aminomethyl)pentan-3-yl]butanamide;hydrochloride is CCC(CC)(CN)NC(=O)CCCOc1ccc(C(C)=O)cc1.Cl.
What is the InChIKey of 4-(4-acetylphenoxy)-N-[3-(aminomethyl)pentan-3-yl]butanamide;hydrochloride?
The InChIKey is YAZIVYSCZZATKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3.ClH/c1-4-18(5-2,13-19)20-17(22)7-6-12-23-16-10-8-15(9-11-16)14(3)21;/h8-11H,4-7,12-13,19H2,1-3H3,(H,20,22);1H.
What are the key properties of 4-(4-acetylphenoxy)-N-[3-(aminomethyl)pentan-3-yl]butanamide;hydrochloride?
4-(4-acetylphenoxy)-N-[3-(aminomethyl)pentan-3-yl]butanamide;hydrochloride has a molecular weight of 356.89 g/mol, XLogP of 3.10, 10 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-(aminomethyl)pentan-3-yl]butanamide;hydrochloride is sourced from PubChem (CID 119569106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).