N-methyl-4-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]benzamide

C19H28N2O — CID 78849595

IUPACN-methyl-4-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]benzamide
SMILESCNC(=O)c1ccc(CNC2CC3CCC2(C)C3(C)C)cc1
InChIInChI=1S/C19H28N2O/c1-18(2)15-9-10-19(18,3)16(11-15)21-12-13-5-7-14(8-6-13)17(22)20-4/h5-8,15-16,21H,9-12H2,1-4H3,(H,20,22)
InChIKeyWKEBWTFIAOSANK-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.35
Rot. Bonds4

About N-methyl-4-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]benzamide

N-methyl-4-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]benzamide (PubChem CID 78849595) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is N-methyl-4-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]benzamide
PubChem CID78849595
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC NameN-methyl-4-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]benzamide
SMILESCNC(=O)c1ccc(CNC2CC3CCC2(C)C3(C)C)cc1
InChIInChI=1S/C19H28N2O/c1-18(2)15-9-10-19(18,3)16(11-15)21-12-13-5-7-14(8-6-13)17(22)20-4/h5-8,15-16,21H,9-12H2,1-4H3,(H,20,22)
InChIKeyWKEBWTFIAOSANK-UHFFFAOYSA-N
XLogP3.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-methyl-4-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]benzoic acid
CID 65347721
(1S,2R,4S)-N-[(4-methoxyphenyl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride
CID 23619995
1,7,7-trimethyl-N-(pyridin-4-ylmethyl)bicyclo[2.2.1]heptan-2-amine
CID 43222723
N-methyl-4-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]benzamide
CID 79358376
1,7,7-trimethyl-N-(1H-pyrrol-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine
CID 66408508
4-iodo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide
CID 60629735
N-methyl-2-[[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]acetamide
CID 103951928
N-(1,3-benzodioxol-5-ylmethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 43222587
1,7,7-trimethyl-N-(pyridin-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine
CID 43222733
N-methyl-4-[(thian-4-ylamino)methyl]benzamide
CID 43329353
4-[[(2,2-dimethyl-1,3-dioxan-5-yl)amino]methyl]-N-methylbenzamide
CID 104588896
4-[[(3-aminocyclopentyl)amino]methyl]-N-methylbenzamide
CID 79462597

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]benzamide?
The IUPAC name of N-methyl-4-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]benzamide (CID 78849595) is N-methyl-4-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]benzamide.
What is the SMILES notation for N-methyl-4-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]benzamide?
The canonical SMILES for N-methyl-4-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]benzamide is CNC(=O)c1ccc(CNC2CC3CCC2(C)C3(C)C)cc1.
What is the InChIKey of N-methyl-4-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]benzamide?
The InChIKey is WKEBWTFIAOSANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-18(2)15-9-10-19(18,3)16(11-15)21-12-13-5-7-14(8-6-13)17(22)20-4/h5-8,15-16,21H,9-12H2,1-4H3,(H,20,22).
What are the key properties of N-methyl-4-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]benzamide?
N-methyl-4-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]benzamide has a molecular weight of 300.45 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]benzamide is sourced from PubChem (CID 78849595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).