4-[[[2-(tert-butylcarbamoylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide

C17H26N4O3 — CID 37212891

IUPAC4-[[[2-(tert-butylcarbamoylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(C)CC(=O)NC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C17H26N4O3/c1-17(2,3)20-16(24)19-14(22)11-21(5)10-12-6-8-13(9-7-12)15(23)18-4/h6-9H,10-11H2,1-5H3,(H,18,23)(H2,19,20,22,24)
InChIKeyDUGLTUOPVAXCNZ-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.10
Rot. Bonds5

About 4-[[[2-(tert-butylcarbamoylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide

4-[[[2-(tert-butylcarbamoylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide (PubChem CID 37212891) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-[[[2-(tert-butylcarbamoylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[[2-(tert-butylcarbamoylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
PubChem CID37212891
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name4-[[[2-(tert-butylcarbamoylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(C)CC(=O)NC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C17H26N4O3/c1-17(2,3)20-16(24)19-14(22)11-21(5)10-12-6-8-13(9-7-12)15(23)18-4/h6-9H,10-11H2,1-5H3,(H,18,23)(H2,19,20,22,24)
InChIKeyDUGLTUOPVAXCNZ-UHFFFAOYSA-N
XLogP1.10
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(tert-butylcarbamoyl)-2-[(4-ethylphenyl)methyl-methylamino]acetamide
CID 4818784
N-(tert-butylcarbamoyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide
CID 9028162
N-methyl-4-[[methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]methyl]benzamide
CID 9123723
4-[[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9123296
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
N-methyl-4-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]benzamide
CID 42540672
4-[[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9003189
4-[[[3-(carbamoylamino)-3-oxopropyl]-methylamino]methyl]-N-methylbenzamide
CID 42540850
4-[[[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9125996
4-[[[2-[(4-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 37215840
4-[[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9123087

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(tert-butylcarbamoylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[[2-(tert-butylcarbamoylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide (CID 37212891) is 4-[[[2-(tert-butylcarbamoylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[[2-(tert-butylcarbamoylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[[2-(tert-butylcarbamoylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide is CNC(=O)c1ccc(CN(C)CC(=O)NC(=O)NC(C)(C)C)cc1.
What is the InChIKey of 4-[[[2-(tert-butylcarbamoylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide?
The InChIKey is DUGLTUOPVAXCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-17(2,3)20-16(24)19-14(22)11-21(5)10-12-6-8-13(9-7-12)15(23)18-4/h6-9H,10-11H2,1-5H3,(H,18,23)(H2,19,20,22,24).
What are the key properties of 4-[[[2-(tert-butylcarbamoylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide?
4-[[[2-(tert-butylcarbamoylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide has a molecular weight of 334.42 g/mol, XLogP of 1.10, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(tert-butylcarbamoylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide is sourced from PubChem (CID 37212891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).