2-methyl-4-[methyl-[4-(methylamino)cyclohexyl]amino]benzamide

C16H25N3O — CID 81279279

IUPAC2-methyl-4-[methyl-[4-(methylamino)cyclohexyl]amino]benzamide
SMILESCNC1CCC(N(C)c2ccc(C(N)=O)c(C)c2)CC1
InChIInChI=1S/C16H25N3O/c1-11-10-14(8-9-15(11)16(17)20)19(3)13-6-4-12(18-2)5-7-13/h8-10,12-13,18H,4-7H2,1-3H3,(H2,17,20)
InChIKeyNWCBGKJZIOOSPZ-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.06
Rot. Bonds4

About 2-methyl-4-[methyl-[4-(methylamino)cyclohexyl]amino]benzamide

2-methyl-4-[methyl-[4-(methylamino)cyclohexyl]amino]benzamide (PubChem CID 81279279) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-methyl-4-[methyl-[4-(methylamino)cyclohexyl]amino]benzamide.

Molecular Properties

Compound Name2-methyl-4-[methyl-[4-(methylamino)cyclohexyl]amino]benzamide
PubChem CID81279279
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-methyl-4-[methyl-[4-(methylamino)cyclohexyl]amino]benzamide
SMILESCNC1CCC(N(C)c2ccc(C(N)=O)c(C)c2)CC1
InChIInChI=1S/C16H25N3O/c1-11-10-14(8-9-15(11)16(17)20)19(3)13-6-4-12(18-2)5-7-13/h8-10,12-13,18H,4-7H2,1-3H3,(H2,17,20)
InChIKeyNWCBGKJZIOOSPZ-UHFFFAOYSA-N
XLogP2.06
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[methyl-[4-(methylamino)cyclohexyl]amino]benzamide?
The IUPAC name of 2-methyl-4-[methyl-[4-(methylamino)cyclohexyl]amino]benzamide (CID 81279279) is 2-methyl-4-[methyl-[4-(methylamino)cyclohexyl]amino]benzamide.
What is the SMILES notation for 2-methyl-4-[methyl-[4-(methylamino)cyclohexyl]amino]benzamide?
The canonical SMILES for 2-methyl-4-[methyl-[4-(methylamino)cyclohexyl]amino]benzamide is CNC1CCC(N(C)c2ccc(C(N)=O)c(C)c2)CC1.
What is the InChIKey of 2-methyl-4-[methyl-[4-(methylamino)cyclohexyl]amino]benzamide?
The InChIKey is NWCBGKJZIOOSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-11-10-14(8-9-15(11)16(17)20)19(3)13-6-4-12(18-2)5-7-13/h8-10,12-13,18H,4-7H2,1-3H3,(H2,17,20).
What are the key properties of 2-methyl-4-[methyl-[4-(methylamino)cyclohexyl]amino]benzamide?
2-methyl-4-[methyl-[4-(methylamino)cyclohexyl]amino]benzamide has a molecular weight of 275.40 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[methyl-[4-(methylamino)cyclohexyl]amino]benzamide is sourced from PubChem (CID 81279279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).