4-[[[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide

C17H25N3O2 — CID 9125996

IUPAC4-[[[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(C)CC(=O)N[C@H](C)C2CC2)cc1
InChIInChI=1S/C17H25N3O2/c1-12(14-8-9-14)19-16(21)11-20(3)10-13-4-6-15(7-5-13)17(22)18-2/h4-7,12,14H,8-11H2,1-3H3,(H,18,22)(H,19,21)/t12-/m1/s1
InChIKeyRYTYAAPDBMLRTA-GFCCVEGCSA-N
MW303.41 g/mol
LogP1.39
Rot. Bonds7

About 4-[[[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide

4-[[[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide (PubChem CID 9125996) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 4-[[[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
PubChem CID9125996
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name4-[[[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(C)CC(=O)N[C@H](C)C2CC2)cc1
InChIInChI=1S/C17H25N3O2/c1-12(14-8-9-14)19-16(21)11-20(3)10-13-4-6-15(7-5-13)17(22)18-2/h4-7,12,14H,8-11H2,1-3H3,(H,18,22)(H,19,21)/t12-/m1/s1
InChIKeyRYTYAAPDBMLRTA-GFCCVEGCSA-N
XLogP1.39
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide with MolForge

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Related Compounds

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CID 9003185
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CID 9125960
[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium
CID 9125995
4-[[[2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9124829
N-methyl-4-[[methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]methyl]benzamide
CID 9123723
4-[[[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 51227440
4-[[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9123296
N-methyl-4-[[methyl-[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl]amino]methyl]benzamide
CID 9125717
N-methyl-4-[[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]methyl]benzamide
CID 9003162
N-methyl-4-[[methyl-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]methyl]benzamide
CID 42540138
4-[[[2-(tert-butylcarbamoylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 37212891
4-[[[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 60503006

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide (CID 9125996) is 4-[[[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide is CNC(=O)c1ccc(CN(C)CC(=O)N[C@H](C)C2CC2)cc1.
What is the InChIKey of 4-[[[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide?
The InChIKey is RYTYAAPDBMLRTA-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-12(14-8-9-14)19-16(21)11-20(3)10-13-4-6-15(7-5-13)17(22)18-2/h4-7,12,14H,8-11H2,1-3H3,(H,18,22)(H,19,21)/t12-/m1/s1.
What are the key properties of 4-[[[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide?
4-[[[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide has a molecular weight of 303.41 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide is sourced from PubChem (CID 9125996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).