N-(3-amino-4-methylpentyl)-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide

C17H26F2N2O2 — CID 119660115

IUPACN-(3-amino-4-methylpentyl)-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide
SMILESCC(C)C(N)CCN(C)C(=O)CCc1ccc(OC(F)F)cc1
InChIInChI=1S/C17H26F2N2O2/c1-12(2)15(20)10-11-21(3)16(22)9-6-13-4-7-14(8-5-13)23-17(18)19/h4-5,7-8,12,15,17H,6,9-11,20H2,1-3H3
InChIKeyCCVSHTTUNRMJCG-UHFFFAOYSA-N
MW328.40 g/mol
LogP3.05
Rot. Bonds9

About N-(3-amino-4-methylpentyl)-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide

N-(3-amino-4-methylpentyl)-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide (PubChem CID 119660115) has the molecular formula C17H26F2N2O2 and a molecular weight of 328.40 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide
PubChem CID119660115
Molecular FormulaC17H26F2N2O2
Molecular Weight328.40 g/mol
Exact Mass328.20
IUPAC NameN-(3-amino-4-methylpentyl)-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide
SMILESCC(C)C(N)CCN(C)C(=O)CCc1ccc(OC(F)F)cc1
InChIInChI=1S/C17H26F2N2O2/c1-12(2)15(20)10-11-21(3)16(22)9-6-13-4-7-14(8-5-13)23-17(18)19/h4-5,7-8,12,15,17H,6,9-11,20H2,1-3H3
InChIKeyCCVSHTTUNRMJCG-UHFFFAOYSA-N
XLogP3.05
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-4-methylpentyl)-2-[4-(difluoromethoxy)phenyl]-N-methylacetamide;hydrochloride
CID 119658985
N-(3-amino-4-methylpentyl)-N-methyl-3-(4-propoxyphenyl)propanamide;hydrochloride
CID 119659796
N-(3-amino-4-methylpentyl)-N-methyl-3-pyridin-4-ylpropanamide
CID 81484685
N-(3-amino-4-methylpentyl)-3-(3,5-dimethoxyphenyl)-N-methylpropanamide
CID 119658416
3-[4-(difluoromethoxy)phenyl]-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide
CID 78848365
N-(1-aminopropan-2-yl)-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide
CID 119584021
3-[4-(difluoromethoxy)phenyl]-N-[(4-ethylphenyl)methyl]-N-methylpropanamide
CID 78848081
N-(3-amino-4-methylpentyl)-3-[4-(diethylsulfamoyl)phenyl]-N-methylpropanamide;hydrochloride
CID 119658419
N-[(4-bromophenyl)methyl]-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide
CID 78848085
N-(3-amino-4-methylpentyl)-3-(3-bromo-4-methoxyphenyl)-N-methylpropanamide
CID 119658573
N-(3-amino-4-methylpentyl)-2-[2-(difluoromethoxy)phenyl]-N-methylacetamide
CID 119659145
N-(3-amino-4-methylpentyl)-4-(3,4-difluorophenyl)-N-methylbutanamide
CID 119659377

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide (CID 119660115) is N-(3-amino-4-methylpentyl)-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide is CC(C)C(N)CCN(C)C(=O)CCc1ccc(OC(F)F)cc1.
What is the InChIKey of N-(3-amino-4-methylpentyl)-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide?
The InChIKey is CCVSHTTUNRMJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F2N2O2/c1-12(2)15(20)10-11-21(3)16(22)9-6-13-4-7-14(8-5-13)23-17(18)19/h4-5,7-8,12,15,17H,6,9-11,20H2,1-3H3.
What are the key properties of N-(3-amino-4-methylpentyl)-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide?
N-(3-amino-4-methylpentyl)-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide has a molecular weight of 328.40 g/mol, XLogP of 3.05, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide is sourced from PubChem (CID 119660115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).