N-methyl-4-[[(4-methyl-4-phenylpentan-2-yl)amino]methyl]benzamide

C21H28N2O — CID 119127093

IUPACN-methyl-4-[[(4-methyl-4-phenylpentan-2-yl)amino]methyl]benzamide
SMILESCNC(=O)c1ccc(CNC(C)CC(C)(C)c2ccccc2)cc1
InChIInChI=1S/C21H28N2O/c1-16(14-21(2,3)19-8-6-5-7-9-19)23-15-17-10-12-18(13-11-17)20(24)22-4/h5-13,16,23H,14-15H2,1-4H3,(H,22,24)
InChIKeyHHJSFOUTOZEGFV-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.89
Rot. Bonds7

About N-methyl-4-[[(4-methyl-4-phenylpentan-2-yl)amino]methyl]benzamide

N-methyl-4-[[(4-methyl-4-phenylpentan-2-yl)amino]methyl]benzamide (PubChem CID 119127093) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is N-methyl-4-[[(4-methyl-4-phenylpentan-2-yl)amino]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[[(4-methyl-4-phenylpentan-2-yl)amino]methyl]benzamide
PubChem CID119127093
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC NameN-methyl-4-[[(4-methyl-4-phenylpentan-2-yl)amino]methyl]benzamide
SMILESCNC(=O)c1ccc(CNC(C)CC(C)(C)c2ccccc2)cc1
InChIInChI=1S/C21H28N2O/c1-16(14-21(2,3)19-8-6-5-7-9-19)23-15-17-10-12-18(13-11-17)20(24)22-4/h5-13,16,23H,14-15H2,1-4H3,(H,22,24)
InChIKeyHHJSFOUTOZEGFV-UHFFFAOYSA-N
XLogP3.89
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-methyl-4-[[(4-methyl-4-phenylpentan-2-yl)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-ethylsulfonylpropan-2-ylamino)methyl]-N-methylbenzamide
CID 115626105
N-methyl-4-[(nonan-2-ylamino)methyl]benzamide
CID 43129912
(2R)-N,4-dimethyl-4-phenylpentan-2-amine
CID 42077724
2-(benzylamino)-1-(4-tert-butylphenyl)propan-1-one
CID 82100631
4-[[(4-hydroxy-2,2-dimethylpentyl)amino]methyl]-N-methylbenzamide
CID 111467882
4-[[4-(methylcarbamoyl)phenyl]methylamino]-5-phenylpentanoic acid
CID 120511914
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2S)-4-methyl-4-phenylpentan-2-yl]benzamide
CID 100586131
N-methyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 47116390
3-[[(4-methyl-4-phenylpentan-2-yl)amino]methyl]pentan-3-ol
CID 65105672
4-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]-N-methylbenzamide
CID 60732797
2-methyl-3-(methylamino)-N-(4-methyl-4-phenylpentan-2-yl)propanamide
CID 119755787
4-[[2-[(4-tert-butylbenzoyl)amino]propanoylamino]methyl]-N-methylbenzamide
CID 55575519

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[(4-methyl-4-phenylpentan-2-yl)amino]methyl]benzamide?
The IUPAC name of N-methyl-4-[[(4-methyl-4-phenylpentan-2-yl)amino]methyl]benzamide (CID 119127093) is N-methyl-4-[[(4-methyl-4-phenylpentan-2-yl)amino]methyl]benzamide.
What is the SMILES notation for N-methyl-4-[[(4-methyl-4-phenylpentan-2-yl)amino]methyl]benzamide?
The canonical SMILES for N-methyl-4-[[(4-methyl-4-phenylpentan-2-yl)amino]methyl]benzamide is CNC(=O)c1ccc(CNC(C)CC(C)(C)c2ccccc2)cc1.
What is the InChIKey of N-methyl-4-[[(4-methyl-4-phenylpentan-2-yl)amino]methyl]benzamide?
The InChIKey is HHJSFOUTOZEGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-16(14-21(2,3)19-8-6-5-7-9-19)23-15-17-10-12-18(13-11-17)20(24)22-4/h5-13,16,23H,14-15H2,1-4H3,(H,22,24).
What are the key properties of N-methyl-4-[[(4-methyl-4-phenylpentan-2-yl)amino]methyl]benzamide?
N-methyl-4-[[(4-methyl-4-phenylpentan-2-yl)amino]methyl]benzamide has a molecular weight of 324.47 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[(4-methyl-4-phenylpentan-2-yl)amino]methyl]benzamide is sourced from PubChem (CID 119127093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).