[1-[2-(4-tert-butylbenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]urea

C18H28N4O3 — CID 24634948

IUPAC[1-[2-(4-tert-butylbenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]urea
SMILESCCC(C)C(NC(N)=O)C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H28N4O3/c1-6-11(2)14(20-17(19)25)16(24)22-21-15(23)12-7-9-13(10-8-12)18(3,4)5/h7-11,14H,6H2,1-5H3,(H,21,23)(H,22,24)(H3,19,20,25)
InChIKeyUELBOTPRKBFENZ-UHFFFAOYSA-N
MW348.45 g/mol
LogP1.83
Rot. Bonds5

About [1-[2-(4-tert-butylbenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]urea

[1-[2-(4-tert-butylbenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]urea (PubChem CID 24634948) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is [1-[2-(4-tert-butylbenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]urea.

Molecular Properties

Compound Name[1-[2-(4-tert-butylbenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]urea
PubChem CID24634948
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name[1-[2-(4-tert-butylbenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]urea
SMILESCCC(C)C(NC(N)=O)C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H28N4O3/c1-6-11(2)14(20-17(19)25)16(24)22-21-15(23)12-7-9-13(10-8-12)18(3,4)5/h7-11,14H,6H2,1-5H3,(H,21,23)(H,22,24)(H3,19,20,25)
InChIKeyUELBOTPRKBFENZ-UHFFFAOYSA-N
XLogP1.83
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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-(2,5-dimethylpyrrol-1-yl)benzoyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]urea
CID 42905279
[3-methyl-1-[2-[4-(3-methylbutoxy)benzoyl]hydrazinyl]-1-oxopentan-2-yl]urea
CID 24637501
N-[(2S,3S)-1-[2-(4-chlorobenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 7613124
N-[1-[2-(4-fluorobenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 78512632
4-[[2-(carbamoylamino)-3-methylpentanoyl]amino]benzamide
CID 24640883
[(2S,3S)-3-methyl-1-oxo-1-[2-(3-pyrrolidin-1-ylsulfonylbenzoyl)hydrazinyl]pentan-2-yl]urea
CID 18774750
(2R,3R)-N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-(carbamoylamino)-3-methylpentanamide
CID 35860589
[(2S)-1-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]urea
CID 9151364
methyl 2-[[2-[2-[(4-tert-butylbenzoyl)amino]acetyl]oxyacetyl]amino]-3-methylpentanoate
CID 18280210
[(2S,3S)-1-[2-[(5R)-5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]urea
CID 9426767
[(2S,3R)-3-methyl-1-oxo-1-[2-[2-[3-(trifluoromethyl)phenoxy]acetyl]hydrazinyl]pentan-2-yl]urea
CID 2126641

Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-tert-butylbenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]urea?
The IUPAC name of [1-[2-(4-tert-butylbenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]urea (CID 24634948) is [1-[2-(4-tert-butylbenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]urea.
What is the SMILES notation for [1-[2-(4-tert-butylbenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]urea?
The canonical SMILES for [1-[2-(4-tert-butylbenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]urea is CCC(C)C(NC(N)=O)C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of [1-[2-(4-tert-butylbenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]urea?
The InChIKey is UELBOTPRKBFENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-6-11(2)14(20-17(19)25)16(24)22-21-15(23)12-7-9-13(10-8-12)18(3,4)5/h7-11,14H,6H2,1-5H3,(H,21,23)(H,22,24)(H3,19,20,25).
What are the key properties of [1-[2-(4-tert-butylbenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]urea?
[1-[2-(4-tert-butylbenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]urea has a molecular weight of 348.45 g/mol, XLogP of 1.83, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-tert-butylbenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]urea is sourced from PubChem (CID 24634948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).