1-[(2-methoxyacetyl)amino]-3-(2-methoxy-5-methylphenyl)urea

C12H17N3O4 — CID 2206228

IUPAC1-[(2-methoxyacetyl)amino]-3-(2-methoxy-5-methylphenyl)urea
SMILESCOCC(=O)NNC(=O)Nc1cc(C)ccc1OC
InChIInChI=1S/C12H17N3O4/c1-8-4-5-10(19-3)9(6-8)13-12(17)15-14-11(16)7-18-2/h4-6H,7H2,1-3H3,(H,14,16)(H2,13,15,17)
InChIKeyAVJZNESLJVBALY-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.80
Rot. Bonds4

About 1-[(2-methoxyacetyl)amino]-3-(2-methoxy-5-methylphenyl)urea

1-[(2-methoxyacetyl)amino]-3-(2-methoxy-5-methylphenyl)urea (PubChem CID 2206228) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 1-[(2-methoxyacetyl)amino]-3-(2-methoxy-5-methylphenyl)urea.

Molecular Properties

Compound Name1-[(2-methoxyacetyl)amino]-3-(2-methoxy-5-methylphenyl)urea
PubChem CID2206228
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name1-[(2-methoxyacetyl)amino]-3-(2-methoxy-5-methylphenyl)urea
SMILESCOCC(=O)NNC(=O)Nc1cc(C)ccc1OC
InChIInChI=1S/C12H17N3O4/c1-8-4-5-10(19-3)9(6-8)13-12(17)15-14-11(16)7-18-2/h4-6H,7H2,1-3H3,(H,14,16)(H2,13,15,17)
InChIKeyAVJZNESLJVBALY-UHFFFAOYSA-N
XLogP0.80
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxy-5-methylphenyl)-3-[(2-phenylacetyl)amino]urea
CID 4516972
1-(2-methoxy-5-methylphenyl)-3-[(2-naphthalen-2-yloxyacetyl)amino]urea
CID 25237331
1-(carbamothioylamino)-3-(2-methoxy-5-methylphenyl)urea
CID 44725083
N,N'-bis(2-methoxy-5-methylphenyl)pentanediamide
CID 5142107
3-[(2-methoxyacetyl)hydrazinylidene]-N-(2-methoxy-5-methylphenyl)butanamide
CID 542160
1-(2-methoxy-5-methylphenyl)-3-(4-methylphenyl)urea
CID 16640797
2-[2-[(2-methoxy-5-methylphenyl)carbamoylamino]-2-oxoethoxy]acetic acid
CID 61326948
4-[(2-methoxy-5-methylphenyl)carbamoylamino]-4-oxobutanoic acid
CID 28746072
N-(5-bromo-2-methoxyphenyl)-2-methoxyacetamide
CID 61072543
2-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 1447930
1-(2-methoxy-5-methylphenyl)-3-[(4-methylphenyl)methyl]urea
CID 6467864
1-(2-aminoethyl)-3-(2-methoxy-5-methylphenyl)urea
CID 82080459

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyacetyl)amino]-3-(2-methoxy-5-methylphenyl)urea?
The IUPAC name of 1-[(2-methoxyacetyl)amino]-3-(2-methoxy-5-methylphenyl)urea (CID 2206228) is 1-[(2-methoxyacetyl)amino]-3-(2-methoxy-5-methylphenyl)urea.
What is the SMILES notation for 1-[(2-methoxyacetyl)amino]-3-(2-methoxy-5-methylphenyl)urea?
The canonical SMILES for 1-[(2-methoxyacetyl)amino]-3-(2-methoxy-5-methylphenyl)urea is COCC(=O)NNC(=O)Nc1cc(C)ccc1OC.
What is the InChIKey of 1-[(2-methoxyacetyl)amino]-3-(2-methoxy-5-methylphenyl)urea?
The InChIKey is AVJZNESLJVBALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-8-4-5-10(19-3)9(6-8)13-12(17)15-14-11(16)7-18-2/h4-6H,7H2,1-3H3,(H,14,16)(H2,13,15,17).
What are the key properties of 1-[(2-methoxyacetyl)amino]-3-(2-methoxy-5-methylphenyl)urea?
1-[(2-methoxyacetyl)amino]-3-(2-methoxy-5-methylphenyl)urea has a molecular weight of 267.28 g/mol, XLogP of 0.80, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyacetyl)amino]-3-(2-methoxy-5-methylphenyl)urea is sourced from PubChem (CID 2206228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).