2-(methylamino)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]acetamide;hydrochloride

C15H23ClN4O3 — CID 119701961

IUPAC2-(methylamino)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]acetamide;hydrochloride
SMILESCNCC(=O)Nc1ccc(NC(=O)NCC2CCCO2)cc1.Cl
InChIInChI=1S/C15H22N4O3.ClH/c1-16-10-14(20)18-11-4-6-12(7-5-11)19-15(21)17-9-13-3-2-8-22-13;/h4-7,13,16H,2-3,8-10H2,1H3,(H,18,20)(H2,17,19,21);1H
InChIKeyLHRASKLVBVEMRM-UHFFFAOYSA-N
MW342.83 g/mol
LogP1.57
Rot. Bonds6

About 2-(methylamino)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]acetamide;hydrochloride

2-(methylamino)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]acetamide;hydrochloride (PubChem CID 119701961) has the molecular formula C15H23ClN4O3 and a molecular weight of 342.83 g/mol. Its IUPAC name is 2-(methylamino)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(methylamino)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]acetamide;hydrochloride
PubChem CID119701961
Molecular FormulaC15H23ClN4O3
Molecular Weight342.83 g/mol
Exact Mass342.15
IUPAC Name2-(methylamino)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]acetamide;hydrochloride
SMILESCNCC(=O)Nc1ccc(NC(=O)NCC2CCCO2)cc1.Cl
InChIInChI=1S/C15H22N4O3.ClH/c1-16-10-14(20)18-11-4-6-12(7-5-11)19-15(21)17-9-13-3-2-8-22-13;/h4-7,13,16H,2-3,8-10H2,1H3,(H,18,20)(H2,17,19,21);1H
InChIKeyLHRASKLVBVEMRM-UHFFFAOYSA-N
XLogP1.57
TPSA91.49 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 51.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-(methylamino)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]propanamide;hydrochloride
CID 119701973
3-[[2-(methylamino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54820604
1-[4-(methanesulfonamido)phenyl]-3-(oxolan-2-ylmethyl)urea
CID 108875185
4-ethoxy-N-[2-oxo-2-[4-(oxolan-2-ylmethylcarbamoylamino)anilino]ethyl]benzamide
CID 55527840
N'-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide
CID 108943682
2-[4-(2-methylpropyl)phenyl]-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]acetamide
CID 55527592
4-(oxolan-2-ylmethylcarbamoylamino)-N-propan-2-ylbenzamide
CID 17180641
N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-2-(trifluoromethylsulfanyl)acetamide
CID 55651787
1-cyclohexyl-3-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]urea
CID 134039404
2-(2,5-dimethylphenyl)sulfanyl-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]acetamide
CID 55527496
N-(4-acetamidophenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 54815392
1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 92888719

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]acetamide;hydrochloride?
The IUPAC name of 2-(methylamino)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]acetamide;hydrochloride (CID 119701961) is 2-(methylamino)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(methylamino)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]acetamide;hydrochloride?
The canonical SMILES for 2-(methylamino)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]acetamide;hydrochloride is CNCC(=O)Nc1ccc(NC(=O)NCC2CCCO2)cc1.Cl.
What is the InChIKey of 2-(methylamino)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]acetamide;hydrochloride?
The InChIKey is LHRASKLVBVEMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3.ClH/c1-16-10-14(20)18-11-4-6-12(7-5-11)19-15(21)17-9-13-3-2-8-22-13;/h4-7,13,16H,2-3,8-10H2,1H3,(H,18,20)(H2,17,19,21);1H.
What are the key properties of 2-(methylamino)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]acetamide;hydrochloride?
2-(methylamino)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]acetamide;hydrochloride has a molecular weight of 342.83 g/mol, XLogP of 1.57, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 119701961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).