N-(3-amino-4-methylpentyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

C18H25F3N2O — CID 119661315

IUPACN-(3-amino-4-methylpentyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESCC(C)C(N)CCN(C)C(=O)C1(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C18H25F3N2O/c1-12(2)15(22)7-10-23(3)16(24)17(8-9-17)13-5-4-6-14(11-13)18(19,20)21/h4-6,11-12,15H,7-10,22H2,1-3H3
InChIKeyAMZNKEZLUSPDSX-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.57
Rot. Bonds6

About N-(3-amino-4-methylpentyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

N-(3-amino-4-methylpentyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 119661315) has the molecular formula C18H25F3N2O and a molecular weight of 342.41 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
PubChem CID119661315
Molecular FormulaC18H25F3N2O
Molecular Weight342.41 g/mol
Exact Mass342.19
IUPAC NameN-(3-amino-4-methylpentyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESCC(C)C(N)CCN(C)C(=O)C1(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C18H25F3N2O/c1-12(2)15(22)7-10-23(3)16(24)17(8-9-17)13-5-4-6-14(11-13)18(19,20)21/h4-6,11-12,15H,7-10,22H2,1-3H3
InChIKeyAMZNKEZLUSPDSX-UHFFFAOYSA-N
XLogP3.57
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (CID 119661315) is N-(3-amino-4-methylpentyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is CC(C)C(N)CCN(C)C(=O)C1(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-(3-amino-4-methylpentyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is AMZNKEZLUSPDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N2O/c1-12(2)15(22)7-10-23(3)16(24)17(8-9-17)13-5-4-6-14(11-13)18(19,20)21/h4-6,11-12,15H,7-10,22H2,1-3H3.
What are the key properties of N-(3-amino-4-methylpentyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
N-(3-amino-4-methylpentyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 342.41 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 119661315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).