4-[[[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide

C20H31N3O2 — CID 51227440

IUPAC4-[[[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(C)CC(=O)NC2CCCC(C)C2C)cc1
InChIInChI=1S/C20H31N3O2/c1-14-6-5-7-18(15(14)2)22-19(24)13-23(4)12-16-8-10-17(11-9-16)20(25)21-3/h8-11,14-15,18H,5-7,12-13H2,1-4H3,(H,21,25)(H,22,24)
InChIKeyUQRFQGZLTVWYDO-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.42
Rot. Bonds6

About 4-[[[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide

4-[[[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide (PubChem CID 51227440) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 4-[[[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
PubChem CID51227440
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name4-[[[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(C)CC(=O)NC2CCCC(C)C2C)cc1
InChIInChI=1S/C20H31N3O2/c1-14-6-5-7-18(15(14)2)22-19(24)13-23(4)12-16-8-10-17(11-9-16)20(25)21-3/h8-11,14-15,18H,5-7,12-13H2,1-4H3,(H,21,25)(H,22,24)
InChIKeyUQRFQGZLTVWYDO-UHFFFAOYSA-N
XLogP2.42
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)methyl-methylamino]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 11929339
2-[(4-bromophenyl)methyl-methylamino]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 8709638
4-[[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9123296
4-[[[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9125996
N-cyclopropyl-2-[[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-methylamino]acetamide
CID 11934719
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]acetamide
CID 98620369
N-[(1R,2S)-2-methylcyclohexyl]-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetamide
CID 8677114
N-cyclopentyl-2-[[2-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]acetyl]amino]benzamide
CID 9124540
2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]acetamide
CID 129377488
4-[[[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 60503006
N-(2,3-dimethylcyclohexyl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide
CID 109398199
4-acetyl-N-(2,3-dimethylcyclohexyl)benzamide
CID 126843777

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide (CID 51227440) is 4-[[[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide is CNC(=O)c1ccc(CN(C)CC(=O)NC2CCCC(C)C2C)cc1.
What is the InChIKey of 4-[[[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide?
The InChIKey is UQRFQGZLTVWYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-14-6-5-7-18(15(14)2)22-19(24)13-23(4)12-16-8-10-17(11-9-16)20(25)21-3/h8-11,14-15,18H,5-7,12-13H2,1-4H3,(H,21,25)(H,22,24).
What are the key properties of 4-[[[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide?
4-[[[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide has a molecular weight of 345.49 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide is sourced from PubChem (CID 51227440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).