N-(3-amino-2-methylpropyl)-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride

C14H21ClF2N2O2 — CID 119998237

IUPACN-(3-amino-2-methylpropyl)-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride
SMILESCC(CN)CNC(=O)CCc1ccc(OC(F)F)cc1.Cl
InChIInChI=1S/C14H20F2N2O2.ClH/c1-10(8-17)9-18-13(19)7-4-11-2-5-12(6-3-11)20-14(15)16;/h2-3,5-6,10,14H,4,7-9,17H2,1H3,(H,18,19);1H
InChIKeyMPRGNOPSBLAHKI-UHFFFAOYSA-N
MW322.78 g/mol
LogP2.35
Rot. Bonds8

About N-(3-amino-2-methylpropyl)-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride

N-(3-amino-2-methylpropyl)-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride (PubChem CID 119998237) has the molecular formula C14H21ClF2N2O2 and a molecular weight of 322.78 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride
PubChem CID119998237
Molecular FormulaC14H21ClF2N2O2
Molecular Weight322.78 g/mol
Exact Mass322.13
IUPAC NameN-(3-amino-2-methylpropyl)-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride
SMILESCC(CN)CNC(=O)CCc1ccc(OC(F)F)cc1.Cl
InChIInChI=1S/C14H20F2N2O2.ClH/c1-10(8-17)9-18-13(19)7-4-11-2-5-12(6-3-11)20-14(15)16;/h2-3,5-6,10,14H,4,7-9,17H2,1H3,(H,18,19);1H
InChIKeyMPRGNOPSBLAHKI-UHFFFAOYSA-N
XLogP2.35
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.78
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(difluoromethoxy)phenyl]-N-(2-hydroxypropyl)propanamide
CID 110886635
N-(3-amino-2-methylpropyl)-3-(4-methylphenyl)propanamide;hydrochloride
CID 119995634
N-[(2S)-1-aminopropan-2-yl]-3-[4-(difluoromethoxy)phenyl]propanamide
CID 120507742
N-[2-[(3-amino-2-methylpropyl)amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide;hydrochloride
CID 119997514
N-[2-(4-aminophenyl)ethyl]-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride
CID 119549007
N-(3-amino-2-methylpropyl)-2-(4-propan-2-yloxyphenyl)acetamide
CID 115271689
N-(1-amino-2-methylpropan-2-yl)-3-[4-(difluoromethoxy)phenyl]propanamide
CID 119523960
N-[3-(aminomethyl)pentan-3-yl]-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride
CID 119571012
N-benzyl-3-[4-(difluoromethoxy)phenyl]propanamide
CID 86922848
2-[3-[4-(difluoromethoxy)phenyl]propanoylamino]propanoic acid
CID 119225804
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-phenylpropanamide
CID 111424772
2-[4-(difluoromethoxy)phenyl]-N-[(2R)-2-hydroxypropyl]acetamide
CID 83031888

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride?
The IUPAC name of N-(3-amino-2-methylpropyl)-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride (CID 119998237) is N-(3-amino-2-methylpropyl)-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride?
The canonical SMILES for N-(3-amino-2-methylpropyl)-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride is CC(CN)CNC(=O)CCc1ccc(OC(F)F)cc1.Cl.
What is the InChIKey of N-(3-amino-2-methylpropyl)-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride?
The InChIKey is MPRGNOPSBLAHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O2.ClH/c1-10(8-17)9-18-13(19)7-4-11-2-5-12(6-3-11)20-14(15)16;/h2-3,5-6,10,14H,4,7-9,17H2,1H3,(H,18,19);1H.
What are the key properties of N-(3-amino-2-methylpropyl)-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride?
N-(3-amino-2-methylpropyl)-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride has a molecular weight of 322.78 g/mol, XLogP of 2.35, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 119998237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).