N-(1-cyanocyclohexyl)-2-[3-fluoro-4-[methyl(propan-2-yl)amino]anilino]propanamide

C20H29FN4O — CID 71888192

IUPACN-(1-cyanocyclohexyl)-2-[3-fluoro-4-[methyl(propan-2-yl)amino]anilino]propanamide
SMILESCC(Nc1ccc(N(C)C(C)C)c(F)c1)C(=O)NC1(C#N)CCCCC1
InChIInChI=1S/C20H29FN4O/c1-14(2)25(4)18-9-8-16(12-17(18)21)23-15(3)19(26)24-20(13-22)10-6-5-7-11-20/h8-9,12,14-15,23H,5-7,10-11H2,1-4H3,(H,24,26)
InChIKeyNJYFZOFQSLKIST-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.81
Rot. Bonds6

About N-(1-cyanocyclohexyl)-2-[3-fluoro-4-[methyl(propan-2-yl)amino]anilino]propanamide

N-(1-cyanocyclohexyl)-2-[3-fluoro-4-[methyl(propan-2-yl)amino]anilino]propanamide (PubChem CID 71888192) has the molecular formula C20H29FN4O and a molecular weight of 360.48 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2-[3-fluoro-4-[methyl(propan-2-yl)amino]anilino]propanamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2-[3-fluoro-4-[methyl(propan-2-yl)amino]anilino]propanamide
PubChem CID71888192
Molecular FormulaC20H29FN4O
Molecular Weight360.48 g/mol
Exact Mass360.23
IUPAC NameN-(1-cyanocyclohexyl)-2-[3-fluoro-4-[methyl(propan-2-yl)amino]anilino]propanamide
SMILESCC(Nc1ccc(N(C)C(C)C)c(F)c1)C(=O)NC1(C#N)CCCCC1
InChIInChI=1S/C20H29FN4O/c1-14(2)25(4)18-9-8-16(12-17(18)21)23-15(3)19(26)24-20(13-22)10-6-5-7-11-20/h8-9,12,14-15,23H,5-7,10-11H2,1-4H3,(H,24,26)
InChIKeyNJYFZOFQSLKIST-UHFFFAOYSA-N
XLogP3.81
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-2-[3-fluoro-4-[methyl(propan-2-yl)amino]anilino]propanamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2-[3-fluoro-4-[methyl(propan-2-yl)amino]anilino]propanamide (CID 71888192) is N-(1-cyanocyclohexyl)-2-[3-fluoro-4-[methyl(propan-2-yl)amino]anilino]propanamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2-[3-fluoro-4-[methyl(propan-2-yl)amino]anilino]propanamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-2-[3-fluoro-4-[methyl(propan-2-yl)amino]anilino]propanamide is CC(Nc1ccc(N(C)C(C)C)c(F)c1)C(=O)NC1(C#N)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)-2-[3-fluoro-4-[methyl(propan-2-yl)amino]anilino]propanamide?
The InChIKey is NJYFZOFQSLKIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN4O/c1-14(2)25(4)18-9-8-16(12-17(18)21)23-15(3)19(26)24-20(13-22)10-6-5-7-11-20/h8-9,12,14-15,23H,5-7,10-11H2,1-4H3,(H,24,26).
What are the key properties of N-(1-cyanocyclohexyl)-2-[3-fluoro-4-[methyl(propan-2-yl)amino]anilino]propanamide?
N-(1-cyanocyclohexyl)-2-[3-fluoro-4-[methyl(propan-2-yl)amino]anilino]propanamide has a molecular weight of 360.48 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-2-[3-fluoro-4-[methyl(propan-2-yl)amino]anilino]propanamide is sourced from PubChem (CID 71888192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).