2-methyl-3-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]benzamide

C18H26N2O — CID 115400523

IUPAC2-methyl-3-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]benzamide
SMILESCc1c(NC2C(C)(C)[C@H]3CC[C@]2(C)C3)cccc1C(N)=O
InChIInChI=1S/C18H26N2O/c1-11-13(15(19)21)6-5-7-14(11)20-16-17(2,3)12-8-9-18(16,4)10-12/h5-7,12,16,20H,8-10H2,1-4H3,(H2,19,21)/t12-,16?,18+/m0/s1
InChIKeyKCTOORCEIWUJAL-GPYKOTTCSA-N
MW286.42 g/mol
LogP3.72
Rot. Bonds3

About 2-methyl-3-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]benzamide

2-methyl-3-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]benzamide (PubChem CID 115400523) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-methyl-3-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]benzamide.

Molecular Properties

Compound Name2-methyl-3-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]benzamide
PubChem CID115400523
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name2-methyl-3-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]benzamide
SMILESCc1c(NC2C(C)(C)[C@H]3CC[C@]2(C)C3)cccc1C(N)=O
InChIInChI=1S/C18H26N2O/c1-11-13(15(19)21)6-5-7-14(11)20-16-17(2,3)12-8-9-18(16,4)10-12/h5-7,12,16,20H,8-10H2,1-4H3,(H2,19,21)/t12-,16?,18+/m0/s1
InChIKeyKCTOORCEIWUJAL-GPYKOTTCSA-N
XLogP3.72
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-methyl-3-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]benzamide with MolForge

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Related Compounds

2-fluoro-5-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]benzamide
CID 115400531
3-[(2,2-dimethylcyclopentyl)amino]-2-methylbenzamide
CID 79860471
2-methyl-3-[(4-methylcyclohexyl)amino]benzamide
CID 43694058
6-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pyridine-2-carbothioamide
CID 64596471
3-[(4-aminocyclohexyl)amino]-2-methylbenzamide
CID 79723896
3-bromo-4-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]benzenecarbothioamide
CID 82787613
N-[4-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]phenyl]acetamide
CID 115400241
3-[(3-aminocyclobutyl)amino]-2-methylbenzamide
CID 80560029
3-(1-azabicyclo[2.2.2]octan-3-ylamino)-2-methylbenzamide
CID 43694209
(1R,4S)-N-(4-bromo-2-methylphenyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 115400266
(1R,4S)-N-[2-(difluoromethoxy)phenyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 115400349
2-methyl-6-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pyridine-4-carbothioamide
CID 114767729

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]benzamide?
The IUPAC name of 2-methyl-3-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]benzamide (CID 115400523) is 2-methyl-3-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]benzamide.
What is the SMILES notation for 2-methyl-3-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]benzamide?
The canonical SMILES for 2-methyl-3-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]benzamide is Cc1c(NC2C(C)(C)[C@H]3CC[C@]2(C)C3)cccc1C(N)=O.
What is the InChIKey of 2-methyl-3-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]benzamide?
The InChIKey is KCTOORCEIWUJAL-GPYKOTTCSA-N. The full InChI is InChI=1S/C18H26N2O/c1-11-13(15(19)21)6-5-7-14(11)20-16-17(2,3)12-8-9-18(16,4)10-12/h5-7,12,16,20H,8-10H2,1-4H3,(H2,19,21)/t12-,16?,18+/m0/s1.
What are the key properties of 2-methyl-3-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]benzamide?
2-methyl-3-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]benzamide has a molecular weight of 286.42 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]benzamide is sourced from PubChem (CID 115400523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).