N-[3-(aminomethyl)pentan-3-yl]-3-(2-phenylphenoxy)propanamide

C21H28N2O2 — CID 119570911

IUPACN-[3-(aminomethyl)pentan-3-yl]-3-(2-phenylphenoxy)propanamide
SMILESCCC(CC)(CN)NC(=O)CCOc1ccccc1-c1ccccc1
InChIInChI=1S/C21H28N2O2/c1-3-21(4-2,16-22)23-20(24)14-15-25-19-13-9-8-12-18(19)17-10-6-5-7-11-17/h5-13H,3-4,14-16,22H2,1-2H3,(H,23,24)
InChIKeyVPKOPTDVNQOBLD-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.76
Rot. Bonds9

About N-[3-(aminomethyl)pentan-3-yl]-3-(2-phenylphenoxy)propanamide

N-[3-(aminomethyl)pentan-3-yl]-3-(2-phenylphenoxy)propanamide (PubChem CID 119570911) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-3-(2-phenylphenoxy)propanamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-3-(2-phenylphenoxy)propanamide
PubChem CID119570911
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-3-(2-phenylphenoxy)propanamide
SMILESCCC(CC)(CN)NC(=O)CCOc1ccccc1-c1ccccc1
InChIInChI=1S/C21H28N2O2/c1-3-21(4-2,16-22)23-20(24)14-15-25-19-13-9-8-12-18(19)17-10-6-5-7-11-17/h5-13H,3-4,14-16,22H2,1-2H3,(H,23,24)
InChIKeyVPKOPTDVNQOBLD-UHFFFAOYSA-N
XLogP3.76
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-3-(2-fluorophenoxy)propanamide
CID 119569535
3-(2-aminophenoxy)-N-[3-(hydroxymethyl)pentan-3-yl]propanamide
CID 62524628
N-[3-(aminomethyl)pentan-3-yl]-4-phenoxybutanamide;hydrochloride
CID 119568655
N-[3-(aminomethyl)pentan-3-yl]-3-(4-fluorophenoxy)propanamide;hydrochloride
CID 119569552
N-[3-(aminomethyl)pentan-3-yl]-3-phenylmethoxypropanamide;hydrochloride
CID 119569536
N-[3-(aminomethyl)pentan-3-yl]-3-(2-bromo-4-methylphenoxy)propanamide;hydrochloride
CID 119571557
N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(2-phenylphenoxy)propanamide;hydrochloride
CID 119655500
N-[3-(aminomethyl)pentan-3-yl]-2-(2-ethylphenoxy)acetamide;hydrochloride
CID 119569079
3-(2-phenylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 52579450
N-[3-(aminomethyl)pentan-3-yl]-2-(2-phenylmethoxyphenoxy)acetamide;hydrochloride
CID 119571605
N-(2-amino-2-oxo-1-phenylethyl)-3-(2-phenylphenoxy)propanamide
CID 55623305
N-[2-(methylamino)propyl]-3-(2-phenylphenoxy)propanamide
CID 120832016

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-3-(2-phenylphenoxy)propanamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-3-(2-phenylphenoxy)propanamide (CID 119570911) is N-[3-(aminomethyl)pentan-3-yl]-3-(2-phenylphenoxy)propanamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-3-(2-phenylphenoxy)propanamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-3-(2-phenylphenoxy)propanamide is CCC(CC)(CN)NC(=O)CCOc1ccccc1-c1ccccc1.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-3-(2-phenylphenoxy)propanamide?
The InChIKey is VPKOPTDVNQOBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-3-21(4-2,16-22)23-20(24)14-15-25-19-13-9-8-12-18(19)17-10-6-5-7-11-17/h5-13H,3-4,14-16,22H2,1-2H3,(H,23,24).
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-3-(2-phenylphenoxy)propanamide?
N-[3-(aminomethyl)pentan-3-yl]-3-(2-phenylphenoxy)propanamide has a molecular weight of 340.47 g/mol, XLogP of 3.76, 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-(2-phenylphenoxy)propanamide is sourced from PubChem (CID 119570911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).