1-(2,4-dimethoxyphenyl)-3-(propan-2-ylideneamino)urea

C12H17N3O3 — CID 11988328

IUPAC1-(2,4-dimethoxyphenyl)-3-(propan-2-ylideneamino)urea
SMILESCOc1ccc(NC(=O)NN=C(C)C)c(OC)c1
InChIInChI=1S/C12H17N3O3/c1-8(2)14-15-12(16)13-10-6-5-9(17-3)7-11(10)18-4/h5-7H,1-4H3,(H2,13,15,16)
InChIKeyDYJIDJUKUKLLMU-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.22
Rot. Bonds4

About 1-(2,4-dimethoxyphenyl)-3-(propan-2-ylideneamino)urea

1-(2,4-dimethoxyphenyl)-3-(propan-2-ylideneamino)urea (PubChem CID 11988328) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-3-(propan-2-ylideneamino)urea.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-3-(propan-2-ylideneamino)urea
PubChem CID11988328
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name1-(2,4-dimethoxyphenyl)-3-(propan-2-ylideneamino)urea
SMILESCOc1ccc(NC(=O)NN=C(C)C)c(OC)c1
InChIInChI=1S/C12H17N3O3/c1-8(2)14-15-12(16)13-10-6-5-9(17-3)7-11(10)18-4/h5-7H,1-4H3,(H2,13,15,16)
InChIKeyDYJIDJUKUKLLMU-UHFFFAOYSA-N
XLogP2.22
TPSA71.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-cyano-3-(2,4-dimethoxyphenyl)urea
CID 20559814
1-(2,4-dimethoxyphenyl)-3-(3-oxobutyl)urea
CID 108895113
N-(2,4-dimethoxyphenyl)-2-methylprop-2-enamide
CID 101065891
1-(2,4-dimethoxyphenyl)-3-(4-iodophenyl)urea
CID 2209592
N-(2,4-dimethoxyphenyl)-2,2-dimethylpropanamide
CID 3713993
1-(2,4-dimethoxyphenyl)-3-[(E)-3-methylbut-1-enyl]urea
CID 108911046
(2S)-2-amino-N-(2,4-dimethoxyphenyl)-3,3-dimethylbutanamide
CID 61148145
(2R)-2-[(2,4-dimethoxyphenyl)carbamoylamino]-3-methylbutanoic acid
CID 79009289
1-(2,4-dimethoxyphenyl)-3-[(2S)-1-methoxypropan-2-yl]urea
CID 94812273
1-(2,4-dimethoxyphenyl)-3-(4-propan-2-ylphenyl)urea
CID 108991641
ethyl N-(2,4-dimethoxyphenyl)carbamate
CID 2741048
N-(2,4-dimethoxyphenyl)-2-methyl-3-(methylamino)propanamide
CID 79195727

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-3-(propan-2-ylideneamino)urea?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-3-(propan-2-ylideneamino)urea (CID 11988328) is 1-(2,4-dimethoxyphenyl)-3-(propan-2-ylideneamino)urea.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-3-(propan-2-ylideneamino)urea?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-3-(propan-2-ylideneamino)urea is COc1ccc(NC(=O)NN=C(C)C)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-3-(propan-2-ylideneamino)urea?
The InChIKey is DYJIDJUKUKLLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-8(2)14-15-12(16)13-10-6-5-9(17-3)7-11(10)18-4/h5-7H,1-4H3,(H2,13,15,16).
What are the key properties of 1-(2,4-dimethoxyphenyl)-3-(propan-2-ylideneamino)urea?
1-(2,4-dimethoxyphenyl)-3-(propan-2-ylideneamino)urea has a molecular weight of 251.29 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-3-(propan-2-ylideneamino)urea is sourced from PubChem (CID 11988328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).