[[1-(4-methoxyphenyl)-2-oxoethyl]amino]urea

C10H13N3O3 — CID 90791303

IUPAC[[1-(4-methoxyphenyl)-2-oxoethyl]amino]urea
SMILESCOc1ccc(C(C=O)NNC(N)=O)cc1
InChIInChI=1S/C10H13N3O3/c1-16-8-4-2-7(3-5-8)9(6-14)12-13-10(11)15/h2-6,9,12H,1H3,(H3,11,13,15)
InChIKeyGITOJYPRSDFDBQ-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.11
Rot. Bonds5

About [[1-(4-methoxyphenyl)-2-oxoethyl]amino]urea

[[1-(4-methoxyphenyl)-2-oxoethyl]amino]urea (PubChem CID 90791303) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is [[1-(4-methoxyphenyl)-2-oxoethyl]amino]urea.

Molecular Properties

Compound Name[[1-(4-methoxyphenyl)-2-oxoethyl]amino]urea
PubChem CID90791303
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name[[1-(4-methoxyphenyl)-2-oxoethyl]amino]urea
SMILESCOc1ccc(C(C=O)NNC(N)=O)cc1
InChIInChI=1S/C10H13N3O3/c1-16-8-4-2-7(3-5-8)9(6-14)12-13-10(11)15/h2-6,9,12H,1H3,(H3,11,13,15)
InChIKeyGITOJYPRSDFDBQ-UHFFFAOYSA-N
XLogP0.11
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(4-methoxyphenyl)-2-(methylamino)acetaldehyde
CID 135349106
2-amino-2-(4-methoxyphenyl)acetamide
CID 14569003
(2S)-2-amino-2-(4-methoxyphenyl)acetamide
CID 54341108
3-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]but-2-enamide
CID 67417518
[(S)-(4-methoxyphenyl)-phenylmethyl]urea
CID 870966
[2-hydroxy-2-(4-methoxyphenyl)ethyl]urea
CID 137321016
(2S)-2-(4-methoxyphenyl)propanal
CID 11137473
methyl 2-bromo-2-(4-methoxyphenyl)acetate
CID 10753737
(2R,3R)-2,3-dihydroxy-3-(4-methoxyphenyl)propanal
CID 124563621
dimethyl 2,5-bis(4-methoxyphenyl)-3,4-dioxohexanedioate
CID 11165893
CID 88961149
CID 88961149
(2R,3S)-2,3-dihydroxy-3-(4-methoxyphenyl)propanal
CID 124563622

Frequently Asked Questions

What is the IUPAC name of [[1-(4-methoxyphenyl)-2-oxoethyl]amino]urea?
The IUPAC name of [[1-(4-methoxyphenyl)-2-oxoethyl]amino]urea (CID 90791303) is [[1-(4-methoxyphenyl)-2-oxoethyl]amino]urea.
What is the SMILES notation for [[1-(4-methoxyphenyl)-2-oxoethyl]amino]urea?
The canonical SMILES for [[1-(4-methoxyphenyl)-2-oxoethyl]amino]urea is COc1ccc(C(C=O)NNC(N)=O)cc1.
What is the InChIKey of [[1-(4-methoxyphenyl)-2-oxoethyl]amino]urea?
The InChIKey is GITOJYPRSDFDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-16-8-4-2-7(3-5-8)9(6-14)12-13-10(11)15/h2-6,9,12H,1H3,(H3,11,13,15).
What are the key properties of [[1-(4-methoxyphenyl)-2-oxoethyl]amino]urea?
[[1-(4-methoxyphenyl)-2-oxoethyl]amino]urea has a molecular weight of 223.23 g/mol, XLogP of 0.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[1-(4-methoxyphenyl)-2-oxoethyl]amino]urea is sourced from PubChem (CID 90791303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).