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

C16H27ClN2O2 — CID 119569536

IUPACN-[3-(aminomethyl)pentan-3-yl]-3-phenylmethoxypropanamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)CCOCc1ccccc1.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-3-16(4-2,13-17)18-15(19)10-11-20-12-14-8-6-5-7-9-14;/h5-9H,3-4,10-13,17H2,1-2H3,(H,18,19);1H
InChIKeyMXGVIQQJSUBNPF-UHFFFAOYSA-N
MW314.86 g/mol
LogP2.65
Rot. Bonds9

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

N-[3-(aminomethyl)pentan-3-yl]-3-phenylmethoxypropanamide;hydrochloride (PubChem CID 119569536) has the molecular formula C16H27ClN2O2 and a molecular weight of 314.86 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-3-phenylmethoxypropanamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-3-phenylmethoxypropanamide;hydrochloride
PubChem CID119569536
Molecular FormulaC16H27ClN2O2
Molecular Weight314.86 g/mol
Exact Mass314.18
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-3-phenylmethoxypropanamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)CCOCc1ccccc1.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-3-16(4-2,13-17)18-15(19)10-11-20-12-14-8-6-5-7-9-14;/h5-9H,3-4,10-13,17H2,1-2H3,(H,18,19);1H
InChIKeyMXGVIQQJSUBNPF-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
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

N-[3-(aminomethyl)pentan-3-yl]-4-phenoxybutanamide;hydrochloride
CID 119568655
N-[3-(aminomethyl)pentan-3-yl]-3-[(2-phenylacetyl)amino]propanamide;hydrochloride
CID 119568709
N-[3-(aminomethyl)pentan-3-yl]-2-(2-phenylmethoxyphenoxy)acetamide;hydrochloride
CID 119571605
N-hydroxy-3-phenylmethoxypropanamide
CID 59082883
N-[3-(aminomethyl)pentan-3-yl]-3-(2-phenylphenoxy)propanamide
CID 119570911
1-amino-2,2-dimethyl-5-phenylmethoxypentan-3-one
CID 130537598
N-[3-(aminomethyl)pentan-3-yl]-3-(2-fluorophenoxy)propanamide
CID 119569535
N-ethylsulfonyl-3-phenylmethoxypropanamide
CID 156816974
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-phenylmethoxyhexanamide
CID 102329033
N-[3-(aminomethyl)pentan-3-yl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 103806894
N-[3-(aminomethyl)pentan-3-yl]-3-(4-fluorophenoxy)propanamide;hydrochloride
CID 119569552
1-phenylmethoxyhexane-3,4-dione
CID 561127

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-3-phenylmethoxypropanamide;hydrochloride?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-3-phenylmethoxypropanamide;hydrochloride (CID 119569536) is N-[3-(aminomethyl)pentan-3-yl]-3-phenylmethoxypropanamide;hydrochloride.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-3-phenylmethoxypropanamide;hydrochloride?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-3-phenylmethoxypropanamide;hydrochloride is CCC(CC)(CN)NC(=O)CCOCc1ccccc1.Cl.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-3-phenylmethoxypropanamide;hydrochloride?
The InChIKey is MXGVIQQJSUBNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2.ClH/c1-3-16(4-2,13-17)18-15(19)10-11-20-12-14-8-6-5-7-9-14;/h5-9H,3-4,10-13,17H2,1-2H3,(H,18,19);1H.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-3-phenylmethoxypropanamide;hydrochloride?
N-[3-(aminomethyl)pentan-3-yl]-3-phenylmethoxypropanamide;hydrochloride has a molecular weight of 314.86 g/mol, XLogP of 2.65, 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]-3-phenylmethoxypropanamide;hydrochloride is sourced from PubChem (CID 119569536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).