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

C19H28N4O3 — CID 9123296

IUPAC4-[[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(C)CC(=O)NC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C19H28N4O3/c1-20-18(25)15-10-8-14(9-11-15)12-23(2)13-17(24)22-19(26)21-16-6-4-3-5-7-16/h8-11,16H,3-7,12-13H2,1-2H3,(H,20,25)(H2,21,22,24,26)
InChIKeyPUTCRQQVBMXMNY-UHFFFAOYSA-N
MW360.46 g/mol
LogP1.64
Rot. Bonds6

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

4-[[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide (PubChem CID 9123296) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is 4-[[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
PubChem CID9123296
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name4-[[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(C)CC(=O)NC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C19H28N4O3/c1-20-18(25)15-10-8-14(9-11-15)12-23(2)13-17(24)22-19(26)21-16-6-4-3-5-7-16/h8-11,16H,3-7,12-13H2,1-2H3,(H,20,25)(H2,21,22,24,26)
InChIKeyPUTCRQQVBMXMNY-UHFFFAOYSA-N
XLogP1.64
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopentylcarbamoyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 9251711
2-[(4-chlorophenyl)methyl-methylamino]-N-(cyclopentylcarbamoyl)acetamide
CID 9040584
N-cyclopentyl-2-[[2-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]acetyl]amino]benzamide
CID 9124540
2-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 78825177
4-[[[2-(tert-butylcarbamoylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 37212891
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
2-[[4-(aminomethyl)phenyl]methyl-methylamino]-N-cyclohexylacetamide
CID 60922338
2-[benzyl(methyl)amino]-N-cyclohexylacetamide
CID 54808837
4-[[[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 60503006
4-[[[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9125996
N-(cyclohexylcarbamoyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]acetamide
CID 8583881

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide (CID 9123296) is 4-[[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide is CNC(=O)c1ccc(CN(C)CC(=O)NC(=O)NC2CCCCC2)cc1.
What is the InChIKey of 4-[[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide?
The InChIKey is PUTCRQQVBMXMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-20-18(25)15-10-8-14(9-11-15)12-23(2)13-17(24)22-19(26)21-16-6-4-3-5-7-16/h8-11,16H,3-7,12-13H2,1-2H3,(H,20,25)(H2,21,22,24,26).
What are the key properties of 4-[[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide?
4-[[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide has a molecular weight of 360.46 g/mol, XLogP of 1.64, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide is sourced from PubChem (CID 9123296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).