N-[2-[(2-methoxyphenoxy)methylcarbamoylamino]ethyl]acetamide

C13H19N3O4 — CID 108892313

IUPACN-[2-[(2-methoxyphenoxy)methylcarbamoylamino]ethyl]acetamide
SMILESCOc1ccccc1OCNC(=O)NCCNC(C)=O
InChIInChI=1S/C13H19N3O4/c1-10(17)14-7-8-15-13(18)16-9-20-12-6-4-3-5-11(12)19-2/h3-6H,7-9H2,1-2H3,(H,14,17)(H2,15,16,18)
InChIKeyXMPPBEKZNBLBRJ-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.47
Rot. Bonds7

About N-[2-[(2-methoxyphenoxy)methylcarbamoylamino]ethyl]acetamide

N-[2-[(2-methoxyphenoxy)methylcarbamoylamino]ethyl]acetamide (PubChem CID 108892313) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is N-[2-[(2-methoxyphenoxy)methylcarbamoylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(2-methoxyphenoxy)methylcarbamoylamino]ethyl]acetamide
PubChem CID108892313
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC NameN-[2-[(2-methoxyphenoxy)methylcarbamoylamino]ethyl]acetamide
SMILESCOc1ccccc1OCNC(=O)NCCNC(C)=O
InChIInChI=1S/C13H19N3O4/c1-10(17)14-7-8-15-13(18)16-9-20-12-6-4-3-5-11(12)19-2/h3-6H,7-9H2,1-2H3,(H,14,17)(H2,15,16,18)
InChIKeyXMPPBEKZNBLBRJ-UHFFFAOYSA-N
XLogP0.47
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(2-methoxyphenoxy)methylcarbamoylamino]phenyl]acetamide
CID 108892060
N-[3-[(2-methoxyphenoxy)methylcarbamoylamino]propyl]formamide
CID 108892277
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(2-ethoxyphenoxy)methyl]urea
CID 108877150
N-[4-[2-(2-methoxyphenyl)ethylcarbamoylamino]butyl]acetamide
CID 110609793
1-(2-bromophenyl)-3-[(2-methoxyphenoxy)methyl]urea
CID 108892327
1-(4-bromophenyl)-3-[(2-methoxyphenoxy)methyl]urea
CID 108892052
1-(4-ethylphenyl)-3-[(2-methoxyphenoxy)methyl]urea
CID 108892216
1-[2-(diethylamino)ethyl]-3-[(2-ethoxyphenoxy)methyl]urea
CID 108877258
1-benzyl-3-[2-(2-methoxyphenoxy)ethyl]urea
CID 112971392
1-(4-ethoxyphenyl)-3-[(2-methoxyphenoxy)methyl]urea
CID 108892159
1-(2-methoxy-5-methylphenyl)-3-[(2-methoxyphenoxy)methyl]urea
CID 108892166
1-[1-(3,4-dimethoxyphenyl)ethyl]-3-[(2-methoxyphenoxy)methyl]urea
CID 108892136

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-methoxyphenoxy)methylcarbamoylamino]ethyl]acetamide?
The IUPAC name of N-[2-[(2-methoxyphenoxy)methylcarbamoylamino]ethyl]acetamide (CID 108892313) is N-[2-[(2-methoxyphenoxy)methylcarbamoylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(2-methoxyphenoxy)methylcarbamoylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[(2-methoxyphenoxy)methylcarbamoylamino]ethyl]acetamide is COc1ccccc1OCNC(=O)NCCNC(C)=O.
What is the InChIKey of N-[2-[(2-methoxyphenoxy)methylcarbamoylamino]ethyl]acetamide?
The InChIKey is XMPPBEKZNBLBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-10(17)14-7-8-15-13(18)16-9-20-12-6-4-3-5-11(12)19-2/h3-6H,7-9H2,1-2H3,(H,14,17)(H2,15,16,18).
What are the key properties of N-[2-[(2-methoxyphenoxy)methylcarbamoylamino]ethyl]acetamide?
N-[2-[(2-methoxyphenoxy)methylcarbamoylamino]ethyl]acetamide has a molecular weight of 281.31 g/mol, XLogP of 0.47, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methoxyphenoxy)methylcarbamoylamino]ethyl]acetamide is sourced from PubChem (CID 108892313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).