1-(2-ethylphenyl)-3-[3-(4-methoxyphenyl)propanoylamino]urea

C19H23N3O3 — CID 24819583

IUPAC1-(2-ethylphenyl)-3-[3-(4-methoxyphenyl)propanoylamino]urea
SMILESCCc1ccccc1NC(=O)NNC(=O)CCc1ccc(OC)cc1
InChIInChI=1S/C19H23N3O3/c1-3-15-6-4-5-7-17(15)20-19(24)22-21-18(23)13-10-14-8-11-16(25-2)12-9-14/h4-9,11-12H,3,10,13H2,1-2H3,(H,21,23)(H2,20,22,24)
InChIKeyZJWZDWWDNRJZLB-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.04
Rot. Bonds6

About 1-(2-ethylphenyl)-3-[3-(4-methoxyphenyl)propanoylamino]urea

1-(2-ethylphenyl)-3-[3-(4-methoxyphenyl)propanoylamino]urea (PubChem CID 24819583) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-3-[3-(4-methoxyphenyl)propanoylamino]urea.

Molecular Properties

Compound Name1-(2-ethylphenyl)-3-[3-(4-methoxyphenyl)propanoylamino]urea
PubChem CID24819583
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name1-(2-ethylphenyl)-3-[3-(4-methoxyphenyl)propanoylamino]urea
SMILESCCc1ccccc1NC(=O)NNC(=O)CCc1ccc(OC)cc1
InChIInChI=1S/C19H23N3O3/c1-3-15-6-4-5-7-17(15)20-19(24)22-21-18(23)13-10-14-8-11-16(25-2)12-9-14/h4-9,11-12H,3,10,13H2,1-2H3,(H,21,23)(H2,20,22,24)
InChIKeyZJWZDWWDNRJZLB-UHFFFAOYSA-N
XLogP3.04
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxybenzoyl)-N-phenylhydrazinecarbothioamide
CID 2306768
N-[4-(2-Hydrazinylethyl)phenyl]-4-(4-methoxyphenyl)butanamide sulfate salt (12h)
CID 77014314
2-[(4-tert-butylphenoxy)acetyl]-N-phenylhydrazinecarboxamide
CID 730153
2-(4-methoxyphenyl)-N-[(3-methylphenyl)carbamothioyl]acetamide
CID 833603
N-phenyl-2-{3-[4-(propan-2-yloxy)phenyl]propanoyl}hydrazinecarbothioamide
CID 1970570
N-(3-Fluoro-phenyl)-3-{[2-(4-methoxy-phenyl)-acetyl]-hydrazono}-butyramide
CID 9594173
2-(4-methoxybenzoyl)-N-(4-methylphenyl)hydrazinecarboxamide
CID 841363
N-[4-({2-[(4-methoxyphenyl)acetyl]hydrazino}carbonyl)phenyl]acetamide
CID 832667
2-benzoyl-2-tert-butyl-N-(4-methoxyphenyl)hydrazinecarboxamide
CID 848607
1-Phenyl-3-[[2-(4-propan-2-yloxyphenyl)acetyl]amino]thiourea
CID 950308
1-[[2-(3-Bromo-4-methoxyphenyl)acetyl]amino]-3-phenylthiourea
CID 1237214
1-(3-Acetylphenyl)-3-[3-(4-methoxyphenyl)propanoylamino]thiourea
CID 2204733

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-3-[3-(4-methoxyphenyl)propanoylamino]urea?
The IUPAC name of 1-(2-ethylphenyl)-3-[3-(4-methoxyphenyl)propanoylamino]urea (CID 24819583) is 1-(2-ethylphenyl)-3-[3-(4-methoxyphenyl)propanoylamino]urea.
What is the SMILES notation for 1-(2-ethylphenyl)-3-[3-(4-methoxyphenyl)propanoylamino]urea?
The canonical SMILES for 1-(2-ethylphenyl)-3-[3-(4-methoxyphenyl)propanoylamino]urea is CCc1ccccc1NC(=O)NNC(=O)CCc1ccc(OC)cc1.
What is the InChIKey of 1-(2-ethylphenyl)-3-[3-(4-methoxyphenyl)propanoylamino]urea?
The InChIKey is ZJWZDWWDNRJZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-3-15-6-4-5-7-17(15)20-19(24)22-21-18(23)13-10-14-8-11-16(25-2)12-9-14/h4-9,11-12H,3,10,13H2,1-2H3,(H,21,23)(H2,20,22,24).
What are the key properties of 1-(2-ethylphenyl)-3-[3-(4-methoxyphenyl)propanoylamino]urea?
1-(2-ethylphenyl)-3-[3-(4-methoxyphenyl)propanoylamino]urea has a molecular weight of 341.41 g/mol, XLogP of 3.04, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-3-[3-(4-methoxyphenyl)propanoylamino]urea is sourced from PubChem (CID 24819583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).