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

C16H27ClN2O2 — CID 119568655

IUPACN-[3-(aminomethyl)pentan-3-yl]-4-phenoxybutanamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)CCCOc1ccccc1.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-3-16(4-2,13-17)18-15(19)11-8-12-20-14-9-6-5-7-10-14;/h5-7,9-10H,3-4,8,11-13,17H2,1-2H3,(H,18,19);1H
InChIKeyHKGOFTFQJFIEPA-UHFFFAOYSA-N
MW314.86 g/mol
LogP2.90
Rot. Bonds9

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

N-[3-(aminomethyl)pentan-3-yl]-4-phenoxybutanamide;hydrochloride (PubChem CID 119568655) has the molecular formula C16H27ClN2O2 and a molecular weight of 314.86 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-4-phenoxybutanamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-4-phenoxybutanamide;hydrochloride
PubChem CID119568655
Molecular FormulaC16H27ClN2O2
Molecular Weight314.86 g/mol
Exact Mass314.18
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-4-phenoxybutanamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)CCCOc1ccccc1.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-3-16(4-2,13-17)18-15(19)11-8-12-20-14-9-6-5-7-10-14;/h5-7,9-10H,3-4,8,11-13,17H2,1-2H3,(H,18,19);1H
InChIKeyHKGOFTFQJFIEPA-UHFFFAOYSA-N
XLogP2.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-acetylphenoxy)-N-[3-(aminomethyl)pentan-3-yl]butanamide;hydrochloride
CID 119569106
N-[3-(aminomethyl)pentan-3-yl]-5-(4-bromophenoxy)pentanamide;hydrochloride
CID 119568938
N-[3-(aminomethyl)pentan-3-yl]-5-(3-methylphenoxy)pentanamide
CID 119569818
N-[3-(aminomethyl)pentan-3-yl]-3-(4-fluorophenoxy)propanamide;hydrochloride
CID 119569552
N-(2-methylbutan-2-yl)-4-phenoxybutanamide
CID 17372829
N-[3-(aminomethyl)pentan-3-yl]-3-phenylmethoxypropanamide;hydrochloride
CID 119569536
N-[3-(aminomethyl)pentan-3-yl]-3-(2-phenylphenoxy)propanamide
CID 119570911
N-[3-(aminomethyl)pentan-3-yl]-3-(2-fluorophenoxy)propanamide
CID 119569535
N-[3-(aminomethyl)pentan-3-yl]-5-methoxypentanamide;hydrochloride
CID 119570681
4-(4-bromophenoxy)-N-[3-(hydroxymethyl)pentan-3-yl]butanamide
CID 62520654
4-(4-fluorophenoxy)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]butanamide
CID 103890959
N-[3-(aminomethyl)pentan-3-yl]-3-[(2-phenylacetyl)amino]propanamide;hydrochloride
CID 119568709

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-4-phenoxybutanamide;hydrochloride?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-4-phenoxybutanamide;hydrochloride (CID 119568655) is N-[3-(aminomethyl)pentan-3-yl]-4-phenoxybutanamide;hydrochloride.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-4-phenoxybutanamide;hydrochloride?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-4-phenoxybutanamide;hydrochloride is CCC(CC)(CN)NC(=O)CCCOc1ccccc1.Cl.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-4-phenoxybutanamide;hydrochloride?
The InChIKey is HKGOFTFQJFIEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2.ClH/c1-3-16(4-2,13-17)18-15(19)11-8-12-20-14-9-6-5-7-10-14;/h5-7,9-10H,3-4,8,11-13,17H2,1-2H3,(H,18,19);1H.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-4-phenoxybutanamide;hydrochloride?
N-[3-(aminomethyl)pentan-3-yl]-4-phenoxybutanamide;hydrochloride has a molecular weight of 314.86 g/mol, XLogP of 2.90, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-4-phenoxybutanamide;hydrochloride is sourced from PubChem (CID 119568655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).