1-[[9-oxo-9-[2-(phenylcarbamoyl)hydrazinyl]nonanoyl]amino]-3-phenylurea

C23H30N6O4 — CID 3123939

IUPAC1-[[9-oxo-9-[2-(phenylcarbamoyl)hydrazinyl]nonanoyl]amino]-3-phenylurea
SMILESO=C(CCCCCCCC(=O)NNC(=O)Nc1ccccc1)NNC(=O)Nc1ccccc1
InChIInChI=1S/C23H30N6O4/c30-20(26-28-22(32)24-18-12-6-4-7-13-18)16-10-2-1-3-11-17-21(31)27-29-23(33)25-19-14-8-5-9-15-19/h4-9,12-15H,1-3,10-11,16-17H2,(H,26,30)(H,27,31)(H2,24,28,32)(H2,25,29,33)
InChIKeyTVYBCOSWGKMJBK-UHFFFAOYSA-N
MW454.53 g/mol
LogP3.42
Rot. Bonds10

About 1-[[9-oxo-9-[2-(phenylcarbamoyl)hydrazinyl]nonanoyl]amino]-3-phenylurea

1-[[9-oxo-9-[2-(phenylcarbamoyl)hydrazinyl]nonanoyl]amino]-3-phenylurea (PubChem CID 3123939) has the molecular formula C23H30N6O4 and a molecular weight of 454.53 g/mol. Its IUPAC name is 1-[[9-oxo-9-[2-(phenylcarbamoyl)hydrazinyl]nonanoyl]amino]-3-phenylurea.

Molecular Properties

Compound Name1-[[9-oxo-9-[2-(phenylcarbamoyl)hydrazinyl]nonanoyl]amino]-3-phenylurea
PubChem CID3123939
Molecular FormulaC23H30N6O4
Molecular Weight454.53 g/mol
Exact Mass454.23
IUPAC Name1-[[9-oxo-9-[2-(phenylcarbamoyl)hydrazinyl]nonanoyl]amino]-3-phenylurea
SMILESO=C(CCCCCCCC(=O)NNC(=O)Nc1ccccc1)NNC(=O)Nc1ccccc1
InChIInChI=1S/C23H30N6O4/c30-20(26-28-22(32)24-18-12-6-4-7-13-18)16-10-2-1-3-11-17-21(31)27-29-23(33)25-19-14-8-5-9-15-19/h4-9,12-15H,1-3,10-11,16-17H2,(H,26,30)(H,27,31)(H2,24,28,32)(H2,25,29,33)
InChIKeyTVYBCOSWGKMJBK-UHFFFAOYSA-N
XLogP3.42
TPSA140.46 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.53
LogP ≤ 53.42
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

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-(octanoylamino)-3-phenylurea
CID 5130887
1-N',8-N'-diphenyloctanedihydrazide
CID 14872757
N-phenylpentacosanamide
CID 19025260
7-bromo-N-phenylheptanamide
CID 11266084
N-phenylheptatetracontanamide
CID 150503307
11-anilino-11-oxoundecanoic acid
CID 150341840
44-anilino-44-oxotetratetracontanoic acid
CID 152661091
1-(4-chlorophenyl)-3-(octanoylamino)urea
CID 4170220
5-oxo-N-phenylheptadecanamide
CID 3308902
1-(3-chlorophenyl)-3-(heptanoylamino)urea
CID 5162671
N-phenyl-10-sulfanyldecanamide
CID 89127946
N-phenyl-9-sulfanylnonanamide
CID 89127947

Frequently Asked Questions

What is the IUPAC name of 1-[[9-oxo-9-[2-(phenylcarbamoyl)hydrazinyl]nonanoyl]amino]-3-phenylurea?
The IUPAC name of 1-[[9-oxo-9-[2-(phenylcarbamoyl)hydrazinyl]nonanoyl]amino]-3-phenylurea (CID 3123939) is 1-[[9-oxo-9-[2-(phenylcarbamoyl)hydrazinyl]nonanoyl]amino]-3-phenylurea.
What is the SMILES notation for 1-[[9-oxo-9-[2-(phenylcarbamoyl)hydrazinyl]nonanoyl]amino]-3-phenylurea?
The canonical SMILES for 1-[[9-oxo-9-[2-(phenylcarbamoyl)hydrazinyl]nonanoyl]amino]-3-phenylurea is O=C(CCCCCCCC(=O)NNC(=O)Nc1ccccc1)NNC(=O)Nc1ccccc1.
What is the InChIKey of 1-[[9-oxo-9-[2-(phenylcarbamoyl)hydrazinyl]nonanoyl]amino]-3-phenylurea?
The InChIKey is TVYBCOSWGKMJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O4/c30-20(26-28-22(32)24-18-12-6-4-7-13-18)16-10-2-1-3-11-17-21(31)27-29-23(33)25-19-14-8-5-9-15-19/h4-9,12-15H,1-3,10-11,16-17H2,(H,26,30)(H,27,31)(H2,24,28,32)(H2,25,29,33).
What are the key properties of 1-[[9-oxo-9-[2-(phenylcarbamoyl)hydrazinyl]nonanoyl]amino]-3-phenylurea?
1-[[9-oxo-9-[2-(phenylcarbamoyl)hydrazinyl]nonanoyl]amino]-3-phenylurea has a molecular weight of 454.53 g/mol, XLogP of 3.42, 10 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[9-oxo-9-[2-(phenylcarbamoyl)hydrazinyl]nonanoyl]amino]-3-phenylurea is sourced from PubChem (CID 3123939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).