N-[4-chloro-3-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]phenyl]-2-methoxyacetamide

C17H24ClN3O4 — CID 118794344

IUPACN-[4-chloro-3-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]phenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc(Cl)c(NC(=O)N(C)CC2CCCCO2)c1
InChIInChI=1S/C17H24ClN3O4/c1-21(10-13-5-3-4-8-25-13)17(23)20-15-9-12(6-7-14(15)18)19-16(22)11-24-2/h6-7,9,13H,3-5,8,10-11H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyZRVXTODIRGJFJF-UHFFFAOYSA-N
MW369.85 g/mol
LogP2.96
Rot. Bonds6

About N-[4-chloro-3-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]phenyl]-2-methoxyacetamide

N-[4-chloro-3-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]phenyl]-2-methoxyacetamide (PubChem CID 118794344) has the molecular formula C17H24ClN3O4 and a molecular weight of 369.85 g/mol. Its IUPAC name is N-[4-chloro-3-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]phenyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[4-chloro-3-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]phenyl]-2-methoxyacetamide
PubChem CID118794344
Molecular FormulaC17H24ClN3O4
Molecular Weight369.85 g/mol
Exact Mass369.15
IUPAC NameN-[4-chloro-3-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]phenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc(Cl)c(NC(=O)N(C)CC2CCCCO2)c1
InChIInChI=1S/C17H24ClN3O4/c1-21(10-13-5-3-4-8-25-13)17(23)20-15-9-12(6-7-14(15)18)19-16(22)11-24-2/h6-7,9,13H,3-5,8,10-11H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyZRVXTODIRGJFJF-UHFFFAOYSA-N
XLogP2.96
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-[[methyl-[[(2R)-oxan-2-yl]methyl]carbamoyl]amino]-N-propylbenzamide
CID 97444592
3-(2,4-dichloro-3-methylphenyl)-1-methyl-1-[[(2S)-oxan-2-yl]methyl]urea
CID 125165219
3-(2-chloro-5-methylphenyl)-1-methyl-1-[2-[(2R)-oxan-2-yl]ethyl]urea
CID 97279208
3-(3-acetylphenyl)-1-methyl-1-(oxan-2-ylmethyl)urea
CID 61174521
3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-(oxan-2-ylmethyl)urea
CID 61433968
3-[3-(difluoromethoxy)-4-methoxyphenyl]-1-methyl-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 94819523
5-hydroxy-2-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]benzoic acid
CID 61435976
3-(2-bromo-4-methylphenyl)-1-methyl-1-(oxolan-2-ylmethyl)urea
CID 51094112
N,N-dimethyl-2-[2-[[methyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]phenyl]acetamide
CID 95258985
1-methyl-3-(2-methyl-3-pyrrol-1-ylphenyl)-1-[[(2S)-oxan-2-yl]methyl]urea
CID 125174332
1-methyl-1-(oxan-2-ylmethyl)-3-[3-(trifluoromethylsulfanyl)phenyl]urea
CID 72849905
5-amino-2-chloro-N-methyl-N-(oxan-2-ylmethyl)benzamide
CID 61430467

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]phenyl]-2-methoxyacetamide?
The IUPAC name of N-[4-chloro-3-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]phenyl]-2-methoxyacetamide (CID 118794344) is N-[4-chloro-3-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]phenyl]-2-methoxyacetamide.
What is the SMILES notation for N-[4-chloro-3-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]phenyl]-2-methoxyacetamide?
The canonical SMILES for N-[4-chloro-3-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]phenyl]-2-methoxyacetamide is COCC(=O)Nc1ccc(Cl)c(NC(=O)N(C)CC2CCCCO2)c1.
What is the InChIKey of N-[4-chloro-3-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]phenyl]-2-methoxyacetamide?
The InChIKey is ZRVXTODIRGJFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O4/c1-21(10-13-5-3-4-8-25-13)17(23)20-15-9-12(6-7-14(15)18)19-16(22)11-24-2/h6-7,9,13H,3-5,8,10-11H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N-[4-chloro-3-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]phenyl]-2-methoxyacetamide?
N-[4-chloro-3-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]phenyl]-2-methoxyacetamide has a molecular weight of 369.85 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]phenyl]-2-methoxyacetamide is sourced from PubChem (CID 118794344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).