N-methyl-4-[[methyl-[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl]amino]methyl]benzamide

C22H29N3O2 — CID 9125717

IUPACN-methyl-4-[[methyl-[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl]amino]methyl]benzamide
SMILESCCC[C@H](NC(=O)CN(C)Cc1ccc(C(=O)NC)cc1)c1ccccc1
InChIInChI=1S/C22H29N3O2/c1-4-8-20(18-9-6-5-7-10-18)24-21(26)16-25(3)15-17-11-13-19(14-12-17)22(27)23-2/h5-7,9-14,20H,4,8,15-16H2,1-3H3,(H,23,27)(H,24,26)/t20-/m0/s1
InChIKeyRACAIYMHIJWRDR-FQEVSTJZSA-N
MW367.49 g/mol
LogP3.14
Rot. Bonds9

About N-methyl-4-[[methyl-[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl]amino]methyl]benzamide

N-methyl-4-[[methyl-[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl]amino]methyl]benzamide (PubChem CID 9125717) 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-[[(1S)-1-phenylbutyl]amino]ethyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[[methyl-[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl]amino]methyl]benzamide
PubChem CID9125717
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-methyl-4-[[methyl-[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl]amino]methyl]benzamide
SMILESCCC[C@H](NC(=O)CN(C)Cc1ccc(C(=O)NC)cc1)c1ccccc1
InChIInChI=1S/C22H29N3O2/c1-4-8-20(18-9-6-5-7-10-18)24-21(26)16-25(3)15-17-11-13-19(14-12-17)22(27)23-2/h5-7,9-14,20H,4,8,15-16H2,1-3H3,(H,23,27)(H,24,26)/t20-/m0/s1
InChIKeyRACAIYMHIJWRDR-FQEVSTJZSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-[[methyl-[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]amino]methyl]benzamide
CID 9003185
methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl]azanium
CID 9125720
4-[[[2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9125960
4-[[[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9125996
4-[[[2-(dibenzylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9003318
4-fluoro-N-(1-phenylbutyl)benzamide
CID 60657146
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
2-[benzyl(methyl)amino]-N-(1-phenylethyl)acetamide
CID 18078396
4-[[[2-(dipropylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9125581
4-[[[2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 37213846
N-methyl-4-[[methyl-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]amino]methyl]benzamide
CID 9125843

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[methyl-[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl]amino]methyl]benzamide?
The IUPAC name of N-methyl-4-[[methyl-[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl]amino]methyl]benzamide (CID 9125717) is N-methyl-4-[[methyl-[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl]amino]methyl]benzamide.
What is the SMILES notation for N-methyl-4-[[methyl-[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl]amino]methyl]benzamide?
The canonical SMILES for N-methyl-4-[[methyl-[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl]amino]methyl]benzamide is CCC[C@H](NC(=O)CN(C)Cc1ccc(C(=O)NC)cc1)c1ccccc1.
What is the InChIKey of N-methyl-4-[[methyl-[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl]amino]methyl]benzamide?
The InChIKey is RACAIYMHIJWRDR-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-4-8-20(18-9-6-5-7-10-18)24-21(26)16-25(3)15-17-11-13-19(14-12-17)22(27)23-2/h5-7,9-14,20H,4,8,15-16H2,1-3H3,(H,23,27)(H,24,26)/t20-/m0/s1.
What are the key properties of N-methyl-4-[[methyl-[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl]amino]methyl]benzamide?
N-methyl-4-[[methyl-[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl]amino]methyl]benzamide has a molecular weight of 367.49 g/mol, XLogP of 3.14, 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-[[(1S)-1-phenylbutyl]amino]ethyl]amino]methyl]benzamide is sourced from PubChem (CID 9125717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).