5-[(2-methylcyclohexyl)amino]benzene-1,3-dicarboxamide

C15H21N3O2 — CID 43206245

IUPAC5-[(2-methylcyclohexyl)amino]benzene-1,3-dicarboxamide
SMILESCC1CCCCC1Nc1cc(C(N)=O)cc(C(N)=O)c1
InChIInChI=1S/C15H21N3O2/c1-9-4-2-3-5-13(9)18-12-7-10(14(16)19)6-11(8-12)15(17)20/h6-9,13,18H,2-5H2,1H3,(H2,16,19)(H2,17,20)
InChIKeyXSRMMKLHWNEOPO-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.88
Rot. Bonds4

About 5-[(2-methylcyclohexyl)amino]benzene-1,3-dicarboxamide

5-[(2-methylcyclohexyl)amino]benzene-1,3-dicarboxamide (PubChem CID 43206245) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 5-[(2-methylcyclohexyl)amino]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name5-[(2-methylcyclohexyl)amino]benzene-1,3-dicarboxamide
PubChem CID43206245
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name5-[(2-methylcyclohexyl)amino]benzene-1,3-dicarboxamide
SMILESCC1CCCCC1Nc1cc(C(N)=O)cc(C(N)=O)c1
InChIInChI=1S/C15H21N3O2/c1-9-4-2-3-5-13(9)18-12-7-10(14(16)19)6-11(8-12)15(17)20/h6-9,13,18H,2-5H2,1H3,(H2,16,19)(H2,17,20)
InChIKeyXSRMMKLHWNEOPO-UHFFFAOYSA-N
XLogP1.88
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-methylcyclohexyl)amino]benzamide
CID 43202841
2-chloro-5-[(2-methylcyclohexyl)amino]benzamide
CID 43713517
3-amino-4-[(2-methylcyclopentyl)amino]benzamide
CID 63278285
N-ethyl-3-[(2-methylcyclopentyl)amino]benzamide
CID 65044409
3-[(2,4,4-trimethylcyclohexyl)amino]benzamide
CID 81321097
1-[2-amino-5-[(2-methylcycloheptyl)amino]phenyl]ethanone
CID 104612930
3-[(2,6-dimethylcyclohexyl)amino]benzamide
CID 43202843
4-bromo-3,5-dimethyl-N-(2-methylcyclohexyl)aniline
CID 107571840
3,5-difluoro-N-[(1R,2S)-2-methylcyclopentyl]aniline
CID 96923141
4-N-(2-methylcyclohexyl)benzene-1,2,4-triamine
CID 106750255
6-[(2-methylcycloheptyl)amino]pyridazine-3-carboxamide
CID 79099687
5-(cyclopentanecarbonylamino)-1-N,3-N-bis(2-methylcyclohexyl)benzene-1,3-dicarboxamide
CID 58903264

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylcyclohexyl)amino]benzene-1,3-dicarboxamide?
The IUPAC name of 5-[(2-methylcyclohexyl)amino]benzene-1,3-dicarboxamide (CID 43206245) is 5-[(2-methylcyclohexyl)amino]benzene-1,3-dicarboxamide.
What is the SMILES notation for 5-[(2-methylcyclohexyl)amino]benzene-1,3-dicarboxamide?
The canonical SMILES for 5-[(2-methylcyclohexyl)amino]benzene-1,3-dicarboxamide is CC1CCCCC1Nc1cc(C(N)=O)cc(C(N)=O)c1.
What is the InChIKey of 5-[(2-methylcyclohexyl)amino]benzene-1,3-dicarboxamide?
The InChIKey is XSRMMKLHWNEOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-9-4-2-3-5-13(9)18-12-7-10(14(16)19)6-11(8-12)15(17)20/h6-9,13,18H,2-5H2,1H3,(H2,16,19)(H2,17,20).
What are the key properties of 5-[(2-methylcyclohexyl)amino]benzene-1,3-dicarboxamide?
5-[(2-methylcyclohexyl)amino]benzene-1,3-dicarboxamide has a molecular weight of 275.35 g/mol, XLogP of 1.88, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylcyclohexyl)amino]benzene-1,3-dicarboxamide is sourced from PubChem (CID 43206245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).