1-(octanoylamino)-3-phenylurea

C15H23N3O2 — CID 5130887

IUPAC1-(octanoylamino)-3-phenylurea
SMILESCCCCCCCC(=O)NNC(=O)Nc1ccccc1
InChIInChI=1S/C15H23N3O2/c1-2-3-4-5-9-12-14(19)17-18-15(20)16-13-10-7-6-8-11-13/h6-8,10-11H,2-5,9,12H2,1H3,(H,17,19)(H2,16,18,20)
InChIKeyMUJKSHZGKRWSEV-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.20
Rot. Bonds7

About 1-(octanoylamino)-3-phenylurea

1-(octanoylamino)-3-phenylurea (PubChem CID 5130887) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-(octanoylamino)-3-phenylurea.

Molecular Properties

Compound Name1-(octanoylamino)-3-phenylurea
PubChem CID5130887
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name1-(octanoylamino)-3-phenylurea
SMILESCCCCCCCC(=O)NNC(=O)Nc1ccccc1
InChIInChI=1S/C15H23N3O2/c1-2-3-4-5-9-12-14(19)17-18-15(20)16-13-10-7-6-8-11-13/h6-8,10-11H,2-5,9,12H2,1H3,(H,17,19)(H2,16,18,20)
InChIKeyMUJKSHZGKRWSEV-UHFFFAOYSA-N
XLogP3.20
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[[9-oxo-9-[2-(phenylcarbamoyl)hydrazinyl]nonanoyl]amino]-3-phenylurea
CID 3123939
N-phenylpentacosanamide
CID 19025260
N-phenylheptatetracontanamide
CID 150503307
1-(4-chlorophenyl)-3-(octanoylamino)urea
CID 4170220
5-oxo-N-phenylheptadecanamide
CID 3308902
1-(3-chlorophenyl)-3-(heptanoylamino)urea
CID 5162671
formamide;N-phenylheptanamide
CID 143464966
(Z)-N-phenyloctadec-9-enamide
CID 5354590
N-phenyldocos-13-enamide
CID 54224492
N'-octanoylbenzohydrazide
CID 4227469
N'-heptanoylbenzohydrazide
CID 4218130
N-(4-hydroxyphenyl)-6-(2-octadecanoylhydrazinyl)-6-oxohexanamide
CID 139759322

Frequently Asked Questions

What is the IUPAC name of 1-(octanoylamino)-3-phenylurea?
The IUPAC name of 1-(octanoylamino)-3-phenylurea (CID 5130887) is 1-(octanoylamino)-3-phenylurea.
What is the SMILES notation for 1-(octanoylamino)-3-phenylurea?
The canonical SMILES for 1-(octanoylamino)-3-phenylurea is CCCCCCCC(=O)NNC(=O)Nc1ccccc1.
What is the InChIKey of 1-(octanoylamino)-3-phenylurea?
The InChIKey is MUJKSHZGKRWSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-2-3-4-5-9-12-14(19)17-18-15(20)16-13-10-7-6-8-11-13/h6-8,10-11H,2-5,9,12H2,1H3,(H,17,19)(H2,16,18,20).
What are the key properties of 1-(octanoylamino)-3-phenylurea?
1-(octanoylamino)-3-phenylurea has a molecular weight of 277.37 g/mol, XLogP of 3.20, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(octanoylamino)-3-phenylurea is sourced from PubChem (CID 5130887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).