N-benzyl-4-[2-(cyclohexylcarbamoyl)hydrazinyl]-4-oxobutanamide

C18H26N4O3 — CID 2959299

IUPACN-benzyl-4-[2-(cyclohexylcarbamoyl)hydrazinyl]-4-oxobutanamide
SMILESO=C(CCC(=O)NNC(=O)NC1CCCCC1)NCc1ccccc1
InChIInChI=1S/C18H26N4O3/c23-16(19-13-14-7-3-1-4-8-14)11-12-17(24)21-22-18(25)20-15-9-5-2-6-10-15/h1,3-4,7-8,15H,2,5-6,9-13H2,(H,19,23)(H,21,24)(H2,20,22,25)
InChIKeyJDROVHZKOBCBQL-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.75
Rot. Bonds6

About N-benzyl-4-[2-(cyclohexylcarbamoyl)hydrazinyl]-4-oxobutanamide

N-benzyl-4-[2-(cyclohexylcarbamoyl)hydrazinyl]-4-oxobutanamide (PubChem CID 2959299) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-benzyl-4-[2-(cyclohexylcarbamoyl)hydrazinyl]-4-oxobutanamide.

Molecular Properties

Compound NameN-benzyl-4-[2-(cyclohexylcarbamoyl)hydrazinyl]-4-oxobutanamide
PubChem CID2959299
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC NameN-benzyl-4-[2-(cyclohexylcarbamoyl)hydrazinyl]-4-oxobutanamide
SMILESO=C(CCC(=O)NNC(=O)NC1CCCCC1)NCc1ccccc1
InChIInChI=1S/C18H26N4O3/c23-16(19-13-14-7-3-1-4-8-14)11-12-17(24)21-22-18(25)20-15-9-5-2-6-10-15/h1,3-4,7-8,15H,2,5-6,9-13H2,(H,19,23)(H,21,24)(H2,20,22,25)
InChIKeyJDROVHZKOBCBQL-UHFFFAOYSA-N
XLogP1.75
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.75
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

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CID 108942512
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CID 2976790
benzyl 5-(cyclohexylamino)-2,5-dioxopentanoate
CID 134398280
N-benzyl-2-(cyclopentylamino)acetamide
CID 43084459
N-benzyl-2-(cyclohexylcarbamoylamino)propanamide
CID 60573206
2-(benzylamino)-N-cyclohexylacetamide
CID 19163991
N-benzyl-4-[2-[4-[[[4-(benzylamino)-4-oxobutanoyl]amino]carbamoyl]benzoyl]hydrazinyl]-4-oxobutanamide
CID 3359263
1-cyclohexyl-3-[[2-(4-phenylphenoxy)acetyl]amino]urea
CID 1294961
benzyl 2-[4-(cyclohexylcarbamoylamino)butanoylamino]acetate
CID 16614928
N'-benzylbutanediamide
CID 4682951
N-cyclopentyl-2-phenylacetamide;hydrochloride
CID 69292876

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[2-(cyclohexylcarbamoyl)hydrazinyl]-4-oxobutanamide?
The IUPAC name of N-benzyl-4-[2-(cyclohexylcarbamoyl)hydrazinyl]-4-oxobutanamide (CID 2959299) is N-benzyl-4-[2-(cyclohexylcarbamoyl)hydrazinyl]-4-oxobutanamide.
What is the SMILES notation for N-benzyl-4-[2-(cyclohexylcarbamoyl)hydrazinyl]-4-oxobutanamide?
The canonical SMILES for N-benzyl-4-[2-(cyclohexylcarbamoyl)hydrazinyl]-4-oxobutanamide is O=C(CCC(=O)NNC(=O)NC1CCCCC1)NCc1ccccc1.
What is the InChIKey of N-benzyl-4-[2-(cyclohexylcarbamoyl)hydrazinyl]-4-oxobutanamide?
The InChIKey is JDROVHZKOBCBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c23-16(19-13-14-7-3-1-4-8-14)11-12-17(24)21-22-18(25)20-15-9-5-2-6-10-15/h1,3-4,7-8,15H,2,5-6,9-13H2,(H,19,23)(H,21,24)(H2,20,22,25).
What are the key properties of N-benzyl-4-[2-(cyclohexylcarbamoyl)hydrazinyl]-4-oxobutanamide?
N-benzyl-4-[2-(cyclohexylcarbamoyl)hydrazinyl]-4-oxobutanamide has a molecular weight of 346.43 g/mol, XLogP of 1.75, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[2-(cyclohexylcarbamoyl)hydrazinyl]-4-oxobutanamide is sourced from PubChem (CID 2959299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).