[3-methyl-1-[2-[4-(3-methylbutoxy)benzoyl]hydrazinyl]-1-oxopentan-2-yl]urea

C19H30N4O4 — CID 24637501

IUPAC[3-methyl-1-[2-[4-(3-methylbutoxy)benzoyl]hydrazinyl]-1-oxopentan-2-yl]urea
SMILESCCC(C)C(NC(N)=O)C(=O)NNC(=O)c1ccc(OCCC(C)C)cc1
InChIInChI=1S/C19H30N4O4/c1-5-13(4)16(21-19(20)26)18(25)23-22-17(24)14-6-8-15(9-7-14)27-11-10-12(2)3/h6-9,12-13,16H,5,10-11H2,1-4H3,(H,22,24)(H,23,25)(H3,20,21,26)
InChIKeyHVGWHXUQOHTVRH-UHFFFAOYSA-N
MW378.47 g/mol
LogP1.96
Rot. Bonds9

About [3-methyl-1-[2-[4-(3-methylbutoxy)benzoyl]hydrazinyl]-1-oxopentan-2-yl]urea

[3-methyl-1-[2-[4-(3-methylbutoxy)benzoyl]hydrazinyl]-1-oxopentan-2-yl]urea (PubChem CID 24637501) has the molecular formula C19H30N4O4 and a molecular weight of 378.47 g/mol. Its IUPAC name is [3-methyl-1-[2-[4-(3-methylbutoxy)benzoyl]hydrazinyl]-1-oxopentan-2-yl]urea.

Molecular Properties

Compound Name[3-methyl-1-[2-[4-(3-methylbutoxy)benzoyl]hydrazinyl]-1-oxopentan-2-yl]urea
PubChem CID24637501
Molecular FormulaC19H30N4O4
Molecular Weight378.47 g/mol
Exact Mass378.23
IUPAC Name[3-methyl-1-[2-[4-(3-methylbutoxy)benzoyl]hydrazinyl]-1-oxopentan-2-yl]urea
SMILESCCC(C)C(NC(N)=O)C(=O)NNC(=O)c1ccc(OCCC(C)C)cc1
InChIInChI=1S/C19H30N4O4/c1-5-13(4)16(21-19(20)26)18(25)23-22-17(24)14-6-8-15(9-7-14)27-11-10-12(2)3/h6-9,12-13,16H,5,10-11H2,1-4H3,(H,22,24)(H,23,25)(H3,20,21,26)
InChIKeyHVGWHXUQOHTVRH-UHFFFAOYSA-N
XLogP1.96
TPSA122.55 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 51.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2S,3S)-1-[2-(4-fluorobenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]urea
CID 9037878
[1-[2-(4-tert-butylbenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]urea
CID 24634948
4-butoxy-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide
CID 4936465
N'-butanoyl-4-(3-methylbutoxy)benzohydrazide
CID 4927928
[1-[2-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]urea
CID 42905279
N'-[4-(3-methylbutoxy)benzoyl]-4-propan-2-ylbenzohydrazide
CID 17177576
N-butan-2-yl-4-(3-methylbutoxy)benzamide
CID 17137403
N'-(4-fluorobenzoyl)-4-(3-methylbutoxy)benzohydrazide
CID 4927856
N'-heptanoyl-4-(3-methylbutoxy)benzohydrazide
CID 54789257
N'-[2-(2-ethoxyphenoxy)acetyl]-4-(3-methylbutoxy)benzohydrazide
CID 55334035
2-hydroxy-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide
CID 27693938
N'-[4-(3-methylbutoxy)benzoyl]-4-(2-phenylethoxy)benzohydrazide
CID 4956685

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[2-[4-(3-methylbutoxy)benzoyl]hydrazinyl]-1-oxopentan-2-yl]urea?
The IUPAC name of [3-methyl-1-[2-[4-(3-methylbutoxy)benzoyl]hydrazinyl]-1-oxopentan-2-yl]urea (CID 24637501) is [3-methyl-1-[2-[4-(3-methylbutoxy)benzoyl]hydrazinyl]-1-oxopentan-2-yl]urea.
What is the SMILES notation for [3-methyl-1-[2-[4-(3-methylbutoxy)benzoyl]hydrazinyl]-1-oxopentan-2-yl]urea?
The canonical SMILES for [3-methyl-1-[2-[4-(3-methylbutoxy)benzoyl]hydrazinyl]-1-oxopentan-2-yl]urea is CCC(C)C(NC(N)=O)C(=O)NNC(=O)c1ccc(OCCC(C)C)cc1.
What is the InChIKey of [3-methyl-1-[2-[4-(3-methylbutoxy)benzoyl]hydrazinyl]-1-oxopentan-2-yl]urea?
The InChIKey is HVGWHXUQOHTVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O4/c1-5-13(4)16(21-19(20)26)18(25)23-22-17(24)14-6-8-15(9-7-14)27-11-10-12(2)3/h6-9,12-13,16H,5,10-11H2,1-4H3,(H,22,24)(H,23,25)(H3,20,21,26).
What are the key properties of [3-methyl-1-[2-[4-(3-methylbutoxy)benzoyl]hydrazinyl]-1-oxopentan-2-yl]urea?
[3-methyl-1-[2-[4-(3-methylbutoxy)benzoyl]hydrazinyl]-1-oxopentan-2-yl]urea has a molecular weight of 378.47 g/mol, XLogP of 1.96, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[2-[4-(3-methylbutoxy)benzoyl]hydrazinyl]-1-oxopentan-2-yl]urea is sourced from PubChem (CID 24637501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).