N-cyclohexyl-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-methylpropanamide

C19H29FN2O2 — CID 78795729

IUPACN-cyclohexyl-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-methylpropanamide
SMILESCOc1ccc(CN(C)C(C)C(=O)N(C)C2CCCCC2)cc1F
InChIInChI=1S/C19H29FN2O2/c1-14(19(23)22(3)16-8-6-5-7-9-16)21(2)13-15-10-11-18(24-4)17(20)12-15/h10-12,14,16H,5-9,13H2,1-4H3
InChIKeyMBQADSPBJQCJDJ-UHFFFAOYSA-N
MW336.45 g/mol
LogP3.45
Rot. Bonds6

About N-cyclohexyl-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-methylpropanamide

N-cyclohexyl-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-methylpropanamide (PubChem CID 78795729) has the molecular formula C19H29FN2O2 and a molecular weight of 336.45 g/mol. Its IUPAC name is N-cyclohexyl-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-methylpropanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-methylpropanamide
PubChem CID78795729
Molecular FormulaC19H29FN2O2
Molecular Weight336.45 g/mol
Exact Mass336.22
IUPAC NameN-cyclohexyl-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-methylpropanamide
SMILESCOc1ccc(CN(C)C(C)C(=O)N(C)C2CCCCC2)cc1F
InChIInChI=1S/C19H29FN2O2/c1-14(19(23)22(3)16-8-6-5-7-9-16)21(2)13-15-10-11-18(24-4)17(20)12-15/h10-12,14,16H,5-9,13H2,1-4H3
InChIKeyMBQADSPBJQCJDJ-UHFFFAOYSA-N
XLogP3.45
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.45
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-methylpropanamide?
The IUPAC name of N-cyclohexyl-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-methylpropanamide (CID 78795729) is N-cyclohexyl-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-methylpropanamide.
What is the SMILES notation for N-cyclohexyl-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-methylpropanamide?
The canonical SMILES for N-cyclohexyl-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-methylpropanamide is COc1ccc(CN(C)C(C)C(=O)N(C)C2CCCCC2)cc1F.
What is the InChIKey of N-cyclohexyl-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-methylpropanamide?
The InChIKey is MBQADSPBJQCJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN2O2/c1-14(19(23)22(3)16-8-6-5-7-9-16)21(2)13-15-10-11-18(24-4)17(20)12-15/h10-12,14,16H,5-9,13H2,1-4H3.
What are the key properties of N-cyclohexyl-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-methylpropanamide?
N-cyclohexyl-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-methylpropanamide has a molecular weight of 336.45 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-methylpropanamide is sourced from PubChem (CID 78795729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).