N-[3-(aminomethyl)pentan-3-yl]-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride

C16H25ClF2N2O2 — CID 119571012

IUPACN-[3-(aminomethyl)pentan-3-yl]-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)CCc1ccc(OC(F)F)cc1.Cl
InChIInChI=1S/C16H24F2N2O2.ClH/c1-3-16(4-2,11-19)20-14(21)10-7-12-5-8-13(9-6-12)22-15(17)18;/h5-6,8-9,15H,3-4,7,10-11,19H2,1-2H3,(H,20,21);1H
InChIKeyVXAIYHWAMKOJHA-UHFFFAOYSA-N
MW350.84 g/mol
LogP3.28
Rot. Bonds9

About N-[3-(aminomethyl)pentan-3-yl]-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride

N-[3-(aminomethyl)pentan-3-yl]-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride (PubChem CID 119571012) has the molecular formula C16H25ClF2N2O2 and a molecular weight of 350.84 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride
PubChem CID119571012
Molecular FormulaC16H25ClF2N2O2
Molecular Weight350.84 g/mol
Exact Mass350.16
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)CCc1ccc(OC(F)F)cc1.Cl
InChIInChI=1S/C16H24F2N2O2.ClH/c1-3-16(4-2,11-19)20-14(21)10-7-12-5-8-13(9-6-12)22-15(17)18;/h5-6,8-9,15H,3-4,7,10-11,19H2,1-2H3,(H,20,21);1H
InChIKeyVXAIYHWAMKOJHA-UHFFFAOYSA-N
XLogP3.28
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.84
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-3-[4-(difluoromethoxy)phenyl]propanamide
CID 119523960
N-[3-(aminomethyl)pentan-3-yl]-3-(4-propan-2-ylphenyl)propanamide;hydrochloride
CID 119571934
N-(1-amino-2-cyclopropylpropan-2-yl)-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride
CID 119574829
N-[(2S)-1-aminopropan-2-yl]-3-[4-(difluoromethoxy)phenyl]propanamide
CID 120507742
N-(3-amino-2-methylpropyl)-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride
CID 119998237
N-[3-(aminomethyl)pentan-3-yl]-3-naphthalen-2-ylpropanamide
CID 119571535
N-[4-(difluoromethoxy)phenyl]-3-(4-ethylphenyl)propanamide
CID 9427794
N-[3-(aminomethyl)pentan-3-yl]-3-(4-fluorophenoxy)propanamide;hydrochloride
CID 119569552
3-[4-(difluoromethoxy)phenyl]-N-methylsulfonylpropanamide
CID 146154209
N-[2-(4-aminophenyl)ethyl]-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride
CID 119549007
3-[4-(difluoromethoxy)phenyl]-N-(2-hydroxypropyl)propanamide
CID 110886635
2-[3-[4-(difluoromethoxy)phenyl]propanoylamino]propanoic acid
CID 119225804

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride (CID 119571012) is N-[3-(aminomethyl)pentan-3-yl]-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride is CCC(CC)(CN)NC(=O)CCc1ccc(OC(F)F)cc1.Cl.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride?
The InChIKey is VXAIYHWAMKOJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2O2.ClH/c1-3-16(4-2,11-19)20-14(21)10-7-12-5-8-13(9-6-12)22-15(17)18;/h5-6,8-9,15H,3-4,7,10-11,19H2,1-2H3,(H,20,21);1H.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride?
N-[3-(aminomethyl)pentan-3-yl]-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride has a molecular weight of 350.84 g/mol, XLogP of 3.28, 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-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 119571012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).