N-methyl-4-[[methyl-[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]amino]methyl]benzamide

C22H29N3O2 — CID 9003185

IUPACN-methyl-4-[[methyl-[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]amino]methyl]benzamide
SMILESCNC(=O)c1ccc(CN(C)CC(=O)N[C@H](C)CCc2ccccc2)cc1
InChIInChI=1S/C22H29N3O2/c1-17(9-10-18-7-5-4-6-8-18)24-21(26)16-25(3)15-19-11-13-20(14-12-19)22(27)23-2/h4-8,11-14,17H,9-10,15-16H2,1-3H3,(H,23,27)(H,24,26)/t17-/m1/s1
InChIKeyDXAGQJKQCCPEBY-QGZVFWFLSA-N
MW367.49 g/mol
LogP2.62
Rot. Bonds9

About N-methyl-4-[[methyl-[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]amino]methyl]benzamide

N-methyl-4-[[methyl-[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]amino]methyl]benzamide (PubChem CID 9003185) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-methyl-4-[[methyl-[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[[methyl-[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]amino]methyl]benzamide
PubChem CID9003185
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-methyl-4-[[methyl-[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]amino]methyl]benzamide
SMILESCNC(=O)c1ccc(CN(C)CC(=O)N[C@H](C)CCc2ccccc2)cc1
InChIInChI=1S/C22H29N3O2/c1-17(9-10-18-7-5-4-6-8-18)24-21(26)16-25(3)15-19-11-13-20(14-12-19)22(27)23-2/h4-8,11-14,17H,9-10,15-16H2,1-3H3,(H,23,27)(H,24,26)/t17-/m1/s1
InChIKeyDXAGQJKQCCPEBY-QGZVFWFLSA-N
XLogP2.62
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-methyl-4-[[methyl-[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]amino]methyl]benzamide with MolForge

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Related Compounds

2-[(4-bromophenyl)methyl-methylamino]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 9040145
2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 9199067
N-methyl-4-[[methyl-[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl]amino]methyl]benzamide
CID 9125717
4-[[[2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9125960
4-[[[2-(dibenzylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9003318
4-[[[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9125996
2-[benzyl(methyl)amino]-N-propan-2-ylacetamide
CID 54808895
N-methyl-4-[[methyl-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]amino]methyl]benzamide
CID 9125843
2-[benzyl(methyl)amino]-N-(1-phenylethyl)acetamide
CID 18078396
N-methyl-4-[(3S)-3-[[(1S)-1-phenylethyl]amino]butyl]benzamide
CID 56997578
4-[[[2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9124829
4-[[[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9003259

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[methyl-[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]amino]methyl]benzamide?
The IUPAC name of N-methyl-4-[[methyl-[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]amino]methyl]benzamide (CID 9003185) is N-methyl-4-[[methyl-[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]amino]methyl]benzamide.
What is the SMILES notation for N-methyl-4-[[methyl-[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]amino]methyl]benzamide?
The canonical SMILES for N-methyl-4-[[methyl-[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]amino]methyl]benzamide is CNC(=O)c1ccc(CN(C)CC(=O)N[C@H](C)CCc2ccccc2)cc1.
What is the InChIKey of N-methyl-4-[[methyl-[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]amino]methyl]benzamide?
The InChIKey is DXAGQJKQCCPEBY-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-17(9-10-18-7-5-4-6-8-18)24-21(26)16-25(3)15-19-11-13-20(14-12-19)22(27)23-2/h4-8,11-14,17H,9-10,15-16H2,1-3H3,(H,23,27)(H,24,26)/t17-/m1/s1.
What are the key properties of N-methyl-4-[[methyl-[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]amino]methyl]benzamide?
N-methyl-4-[[methyl-[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]amino]methyl]benzamide has a molecular weight of 367.49 g/mol, XLogP of 2.62, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[methyl-[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]amino]methyl]benzamide is sourced from PubChem (CID 9003185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).