2-[[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylcarbamoyl]amino]-N-methoxyacetamide

C14H21N3O5 — CID 167860284

IUPAC2-[[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylcarbamoyl]amino]-N-methoxyacetamide
SMILESCONC(=O)CNC(=O)N(C)C(CO)c1ccc(OC)cc1
InChIInChI=1S/C14H21N3O5/c1-17(14(20)15-8-13(19)16-22-3)12(9-18)10-4-6-11(21-2)7-5-10/h4-7,12,18H,8-9H2,1-3H3,(H,15,20)(H,16,19)
InChIKeyWVKGIGDQIJNKLL-UHFFFAOYSA-N
MW311.34 g/mol
LogP0.05
Rot. Bonds7

About 2-[[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylcarbamoyl]amino]-N-methoxyacetamide

2-[[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylcarbamoyl]amino]-N-methoxyacetamide (PubChem CID 167860284) has the molecular formula C14H21N3O5 and a molecular weight of 311.34 g/mol. Its IUPAC name is 2-[[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylcarbamoyl]amino]-N-methoxyacetamide.

Molecular Properties

Compound Name2-[[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylcarbamoyl]amino]-N-methoxyacetamide
PubChem CID167860284
Molecular FormulaC14H21N3O5
Molecular Weight311.34 g/mol
Exact Mass311.15
IUPAC Name2-[[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylcarbamoyl]amino]-N-methoxyacetamide
SMILESCONC(=O)CNC(=O)N(C)C(CO)c1ccc(OC)cc1
InChIInChI=1S/C14H21N3O5/c1-17(14(20)15-8-13(19)16-22-3)12(9-18)10-4-6-11(21-2)7-5-10/h4-7,12,18H,8-9H2,1-3H3,(H,15,20)(H,16,19)
InChIKeyWVKGIGDQIJNKLL-UHFFFAOYSA-N
XLogP0.05
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-butyl-1-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-1-methylurea
CID 97027616
3-benzyl-1-[2-hydroxy-1-(4-methoxyphenyl)ethyl]-1-methylurea
CID 111122932
3-[(2,4-dimethylphenyl)methyl]-1-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-1-methylurea
CID 97250367
1-[2-hydroxy-1-(4-methoxyphenyl)ethyl]-1-methyl-3-[(1-methylpyrrol-3-yl)methyl]urea
CID 84594741
3-(3,5-difluorophenyl)-1-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-1-methylurea
CID 96542792
3-(3-chloro-4-methylphenyl)-1-[2-hydroxy-1-(4-methoxyphenyl)ethyl]-1-methylurea
CID 111122927
methyl 4-[3-[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]-3-oxopropyl]benzoate
CID 75448004
2-[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]-N-phenylacetamide
CID 111122600
N-methoxy-3-(4-methoxyphenyl)-3-phenylpropanamide
CID 144913522
N-(2,6-dimethylphenyl)-2-[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]acetamide
CID 111122580
1-[2-hydroxy-1-(4-methoxyphenyl)ethyl]-1-methyl-3-[2-(4-methylpiperazin-1-yl)phenyl]urea
CID 71876255
N-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-2-(3-methoxyphenyl)sulfanyl-N-methylacetamide
CID 97260253

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylcarbamoyl]amino]-N-methoxyacetamide?
The IUPAC name of 2-[[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylcarbamoyl]amino]-N-methoxyacetamide (CID 167860284) is 2-[[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylcarbamoyl]amino]-N-methoxyacetamide.
What is the SMILES notation for 2-[[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylcarbamoyl]amino]-N-methoxyacetamide?
The canonical SMILES for 2-[[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylcarbamoyl]amino]-N-methoxyacetamide is CONC(=O)CNC(=O)N(C)C(CO)c1ccc(OC)cc1.
What is the InChIKey of 2-[[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylcarbamoyl]amino]-N-methoxyacetamide?
The InChIKey is WVKGIGDQIJNKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O5/c1-17(14(20)15-8-13(19)16-22-3)12(9-18)10-4-6-11(21-2)7-5-10/h4-7,12,18H,8-9H2,1-3H3,(H,15,20)(H,16,19).
What are the key properties of 2-[[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylcarbamoyl]amino]-N-methoxyacetamide?
2-[[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylcarbamoyl]amino]-N-methoxyacetamide has a molecular weight of 311.34 g/mol, XLogP of 0.05, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylcarbamoyl]amino]-N-methoxyacetamide is sourced from PubChem (CID 167860284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).