N-methyl-4-[[methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]methyl]benzamide

C17H26N4O3 — CID 9123723

IUPACN-methyl-4-[[methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]methyl]benzamide
SMILESCNC(=O)c1ccc(CN(C)CC(=O)NC(=O)NCC(C)C)cc1
InChIInChI=1S/C17H26N4O3/c1-12(2)9-19-17(24)20-15(22)11-21(4)10-13-5-7-14(8-6-13)16(23)18-3/h5-8,12H,9-11H2,1-4H3,(H,18,23)(H2,19,20,22,24)
InChIKeyDBRYUKLMJIHABB-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.96
Rot. Bonds7

About N-methyl-4-[[methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]methyl]benzamide

N-methyl-4-[[methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]methyl]benzamide (PubChem CID 9123723) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-methyl-4-[[methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[[methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]methyl]benzamide
PubChem CID9123723
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC NameN-methyl-4-[[methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]methyl]benzamide
SMILESCNC(=O)c1ccc(CN(C)CC(=O)NC(=O)NCC(C)C)cc1
InChIInChI=1S/C17H26N4O3/c1-12(2)9-19-17(24)20-15(22)11-21(4)10-13-5-7-14(8-6-13)16(23)18-3/h5-8,12H,9-11H2,1-4H3,(H,18,23)(H2,19,20,22,24)
InChIKeyDBRYUKLMJIHABB-UHFFFAOYSA-N
XLogP0.96
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-fluorophenyl)methyl-methylamino]-N-(2-methylpropylcarbamoyl)acetamide
CID 9251733
2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(2-methylpropylcarbamoyl)acetamide
CID 9028292
2-[(4-ethoxyphenyl)methyl-methylamino]-N-(2-methylpropylcarbamoyl)acetamide
CID 27204242
4-[[[2-(tert-butylcarbamoylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 37212891
4-[[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9123296
4-[[[2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9125960
N-methyl-4-[[methyl-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]methyl]benzamide
CID 42540138
4-[[[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9125996
2-[(3-methoxyphenyl)methyl-methylamino]-N-(2-methylpropylcarbamoyl)acetamide
CID 8780580
N-methyl-4-[[methyl-[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]amino]methyl]benzamide
CID 9003185
4-[[[2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9124829
N-(ethylcarbamoyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide
CID 9028269

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]methyl]benzamide?
The IUPAC name of N-methyl-4-[[methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]methyl]benzamide (CID 9123723) is N-methyl-4-[[methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]methyl]benzamide.
What is the SMILES notation for N-methyl-4-[[methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]methyl]benzamide?
The canonical SMILES for N-methyl-4-[[methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]methyl]benzamide is CNC(=O)c1ccc(CN(C)CC(=O)NC(=O)NCC(C)C)cc1.
What is the InChIKey of N-methyl-4-[[methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]methyl]benzamide?
The InChIKey is DBRYUKLMJIHABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-12(2)9-19-17(24)20-15(22)11-21(4)10-13-5-7-14(8-6-13)16(23)18-3/h5-8,12H,9-11H2,1-4H3,(H,18,23)(H2,19,20,22,24).
What are the key properties of N-methyl-4-[[methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]methyl]benzamide?
N-methyl-4-[[methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]methyl]benzamide has a molecular weight of 334.42 g/mol, XLogP of 0.96, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]methyl]benzamide is sourced from PubChem (CID 9123723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).