1-[4-(2-acetylhydrazinyl)phenyl]-1-propylurea

C12H18N4O2 — CID 57001281

IUPAC1-[4-(2-acetylhydrazinyl)phenyl]-1-propylurea
SMILESCCCN(C(N)=O)c1ccc(NNC(C)=O)cc1
InChIInChI=1S/C12H18N4O2/c1-3-8-16(12(13)18)11-6-4-10(5-7-11)15-14-9(2)17/h4-7,15H,3,8H2,1-2H3,(H2,13,18)(H,14,17)
InChIKeyIUIDQOMKMRAVIV-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.44
Rot. Bonds5

About 1-[4-(2-acetylhydrazinyl)phenyl]-1-propylurea

1-[4-(2-acetylhydrazinyl)phenyl]-1-propylurea (PubChem CID 57001281) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-[4-(2-acetylhydrazinyl)phenyl]-1-propylurea.

Molecular Properties

Compound Name1-[4-(2-acetylhydrazinyl)phenyl]-1-propylurea
PubChem CID57001281
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name1-[4-(2-acetylhydrazinyl)phenyl]-1-propylurea
SMILESCCCN(C(N)=O)c1ccc(NNC(C)=O)cc1
InChIInChI=1S/C12H18N4O2/c1-3-8-16(12(13)18)11-6-4-10(5-7-11)15-14-9(2)17/h4-7,15H,3,8H2,1-2H3,(H2,13,18)(H,14,17)
InChIKeyIUIDQOMKMRAVIV-UHFFFAOYSA-N
XLogP1.44
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.44
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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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-acetylhydrazinyl)phenyl]-1-propylurea?
The IUPAC name of 1-[4-(2-acetylhydrazinyl)phenyl]-1-propylurea (CID 57001281) is 1-[4-(2-acetylhydrazinyl)phenyl]-1-propylurea.
What is the SMILES notation for 1-[4-(2-acetylhydrazinyl)phenyl]-1-propylurea?
The canonical SMILES for 1-[4-(2-acetylhydrazinyl)phenyl]-1-propylurea is CCCN(C(N)=O)c1ccc(NNC(C)=O)cc1.
What is the InChIKey of 1-[4-(2-acetylhydrazinyl)phenyl]-1-propylurea?
The InChIKey is IUIDQOMKMRAVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-3-8-16(12(13)18)11-6-4-10(5-7-11)15-14-9(2)17/h4-7,15H,3,8H2,1-2H3,(H2,13,18)(H,14,17).
What are the key properties of 1-[4-(2-acetylhydrazinyl)phenyl]-1-propylurea?
1-[4-(2-acetylhydrazinyl)phenyl]-1-propylurea has a molecular weight of 250.30 g/mol, XLogP of 1.44, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-acetylhydrazinyl)phenyl]-1-propylurea is sourced from PubChem (CID 57001281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).