N-(1-aminohexan-2-yl)-3-(difluoromethoxy)-4-methoxybenzamide

C15H22F2N2O3 — CID 119666149

IUPACN-(1-aminohexan-2-yl)-3-(difluoromethoxy)-4-methoxybenzamide
SMILESCCCCC(CN)NC(=O)c1ccc(OC)c(OC(F)F)c1
InChIInChI=1S/C15H22F2N2O3/c1-3-4-5-11(9-18)19-14(20)10-6-7-12(21-2)13(8-10)22-15(16)17/h6-8,11,15H,3-5,9,18H2,1-2H3,(H,19,20)
InChIKeyNEEPSTUAPAFSNR-UHFFFAOYSA-N
MW316.35 g/mol
LogP2.54
Rot. Bonds9

About N-(1-aminohexan-2-yl)-3-(difluoromethoxy)-4-methoxybenzamide

N-(1-aminohexan-2-yl)-3-(difluoromethoxy)-4-methoxybenzamide (PubChem CID 119666149) has the molecular formula C15H22F2N2O3 and a molecular weight of 316.35 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-3-(difluoromethoxy)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-3-(difluoromethoxy)-4-methoxybenzamide
PubChem CID119666149
Molecular FormulaC15H22F2N2O3
Molecular Weight316.35 g/mol
Exact Mass316.16
IUPAC NameN-(1-aminohexan-2-yl)-3-(difluoromethoxy)-4-methoxybenzamide
SMILESCCCCC(CN)NC(=O)c1ccc(OC)c(OC(F)F)c1
InChIInChI=1S/C15H22F2N2O3/c1-3-4-5-11(9-18)19-14(20)10-6-7-12(21-2)13(8-10)22-15(16)17/h6-8,11,15H,3-5,9,18H2,1-2H3,(H,19,20)
InChIKeyNEEPSTUAPAFSNR-UHFFFAOYSA-N
XLogP2.54
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-3-(difluoromethoxy)-4-methoxybenzamide;hydrochloride
CID 119586549
N-(1-aminohexan-2-yl)-3-methoxy-4-methylbenzamide;hydrochloride
CID 119664956
N-(1-aminohexan-2-yl)-3-methoxy-4-(2-methylpropoxy)benzamide;hydrochloride
CID 119666426
N-(1-aminohexan-2-yl)-4-(difluoromethoxy)-3,5-dimethylbenzamide;hydrochloride
CID 119668248
N-(1-amino-4-methylpentan-2-yl)-4-butoxy-3-methoxybenzamide;hydrochloride
CID 119587214
N-(1-aminohexan-2-yl)-2-(difluoromethoxy)-4-fluorobenzamide;hydrochloride
CID 119665751
N-(2-aminoethyl)-3-(difluoromethoxy)-4-methoxybenzamide
CID 119383172
N-(1-aminohexan-2-yl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide;hydrochloride
CID 119665887
4-butoxy-3-(difluoromethoxy)benzamide
CID 175773492
3-N-(1-aminohexan-2-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 119667555
N-(1-aminohexan-2-yl)-3-bromo-4-fluorobenzamide;hydrochloride
CID 119668140
3-(difluoromethoxy)-4-methoxybenzamide
CID 47245743

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-3-(difluoromethoxy)-4-methoxybenzamide?
The IUPAC name of N-(1-aminohexan-2-yl)-3-(difluoromethoxy)-4-methoxybenzamide (CID 119666149) is N-(1-aminohexan-2-yl)-3-(difluoromethoxy)-4-methoxybenzamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-3-(difluoromethoxy)-4-methoxybenzamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-3-(difluoromethoxy)-4-methoxybenzamide is CCCCC(CN)NC(=O)c1ccc(OC)c(OC(F)F)c1.
What is the InChIKey of N-(1-aminohexan-2-yl)-3-(difluoromethoxy)-4-methoxybenzamide?
The InChIKey is NEEPSTUAPAFSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O3/c1-3-4-5-11(9-18)19-14(20)10-6-7-12(21-2)13(8-10)22-15(16)17/h6-8,11,15H,3-5,9,18H2,1-2H3,(H,19,20).
What are the key properties of N-(1-aminohexan-2-yl)-3-(difluoromethoxy)-4-methoxybenzamide?
N-(1-aminohexan-2-yl)-3-(difluoromethoxy)-4-methoxybenzamide has a molecular weight of 316.35 g/mol, XLogP of 2.54, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-3-(difluoromethoxy)-4-methoxybenzamide is sourced from PubChem (CID 119666149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).