4-methyl-N-[3-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]phenyl]benzamide;hydrochloride

C20H26ClN3O2 — CID 119740495

IUPAC4-methyl-N-[3-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]phenyl]benzamide;hydrochloride
SMILESCNCC(C)C(=O)NCc1cccc(NC(=O)c2ccc(C)cc2)c1.Cl
InChIInChI=1S/C20H25N3O2.ClH/c1-14-7-9-17(10-8-14)20(25)23-18-6-4-5-16(11-18)13-22-19(24)15(2)12-21-3;/h4-11,15,21H,12-13H2,1-3H3,(H,22,24)(H,23,25);1H
InChIKeyRPKFLRNZFHXCFT-UHFFFAOYSA-N
MW375.90 g/mol
LogP3.14
Rot. Bonds7

About 4-methyl-N-[3-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]phenyl]benzamide;hydrochloride

4-methyl-N-[3-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]phenyl]benzamide;hydrochloride (PubChem CID 119740495) has the molecular formula C20H26ClN3O2 and a molecular weight of 375.90 g/mol. Its IUPAC name is 4-methyl-N-[3-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]phenyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-methyl-N-[3-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]phenyl]benzamide;hydrochloride
PubChem CID119740495
Molecular FormulaC20H26ClN3O2
Molecular Weight375.90 g/mol
Exact Mass375.17
IUPAC Name4-methyl-N-[3-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]phenyl]benzamide;hydrochloride
SMILESCNCC(C)C(=O)NCc1cccc(NC(=O)c2ccc(C)cc2)c1.Cl
InChIInChI=1S/C20H25N3O2.ClH/c1-14-7-9-17(10-8-14)20(25)23-18-6-4-5-16(11-18)13-22-19(24)15(2)12-21-3;/h4-11,15,21H,12-13H2,1-3H3,(H,22,24)(H,23,25);1H
InChIKeyRPKFLRNZFHXCFT-UHFFFAOYSA-N
XLogP3.14
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-methyl-N-[3-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]phenyl]benzamide;hydrochloride with MolForge

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Related Compounds

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CID 60535740
4-methyl-N-[3-[[2-(3-phenylprop-2-enoylamino)propanoylamino]methyl]phenyl]benzamide
CID 55946553
N-[3-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]-4-methylbenzamide
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4-N-(3-methylphenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046885
N-ethyl-3-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]benzamide
CID 119734831
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CID 55945915
4-methyl-N-[3-[[[(1S)-1-(2-methylphenyl)ethyl]amino]methyl]phenyl]benzamide
CID 27655051
4-methyl-N-[3-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]benzamide
CID 27654804
3-chloro-2-methyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]propanamide
CID 62728650
ethyl 4-[[3-[(4-methylbenzoyl)amino]phenyl]methylamino]-4-oxobutanoate
CID 51121587
4-ethyl-N-[3-(methylaminomethyl)phenyl]benzamide
CID 43601942

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]phenyl]benzamide;hydrochloride?
The IUPAC name of 4-methyl-N-[3-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]phenyl]benzamide;hydrochloride (CID 119740495) is 4-methyl-N-[3-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]phenyl]benzamide;hydrochloride.
What is the SMILES notation for 4-methyl-N-[3-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]phenyl]benzamide;hydrochloride?
The canonical SMILES for 4-methyl-N-[3-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]phenyl]benzamide;hydrochloride is CNCC(C)C(=O)NCc1cccc(NC(=O)c2ccc(C)cc2)c1.Cl.
What is the InChIKey of 4-methyl-N-[3-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]phenyl]benzamide;hydrochloride?
The InChIKey is RPKFLRNZFHXCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2.ClH/c1-14-7-9-17(10-8-14)20(25)23-18-6-4-5-16(11-18)13-22-19(24)15(2)12-21-3;/h4-11,15,21H,12-13H2,1-3H3,(H,22,24)(H,23,25);1H.
What are the key properties of 4-methyl-N-[3-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]phenyl]benzamide;hydrochloride?
4-methyl-N-[3-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]phenyl]benzamide;hydrochloride has a molecular weight of 375.90 g/mol, XLogP of 3.14, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]phenyl]benzamide;hydrochloride is sourced from PubChem (CID 119740495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).