4-tert-butyl-N-[3-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-3-oxopropyl]benzamide

C21H27N3O4 — CID 4787903

IUPAC4-tert-butyl-N-[3-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-3-oxopropyl]benzamide
SMILESCc1cc(C(=O)NNC(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)c(C)o1
InChIInChI=1S/C21H27N3O4/c1-13-12-17(14(2)28-13)20(27)24-23-18(25)10-11-22-19(26)15-6-8-16(9-7-15)21(3,4)5/h6-9,12H,10-11H2,1-5H3,(H,22,26)(H,23,25)(H,24,27)
InChIKeyFBNRPVOHDULKGM-UHFFFAOYSA-N
MW385.46 g/mol
LogP2.78
Rot. Bonds5

About 4-tert-butyl-N-[3-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-3-oxopropyl]benzamide

4-tert-butyl-N-[3-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-3-oxopropyl]benzamide (PubChem CID 4787903) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[3-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-3-oxopropyl]benzamide
PubChem CID4787903
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC Name4-tert-butyl-N-[3-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-3-oxopropyl]benzamide
SMILESCc1cc(C(=O)NNC(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)c(C)o1
InChIInChI=1S/C21H27N3O4/c1-13-12-17(14(2)28-13)20(27)24-23-18(25)10-11-22-19(26)15-6-8-16(9-7-15)21(3,4)5/h6-9,12H,10-11H2,1-5H3,(H,22,26)(H,23,25)(H,24,27)
InChIKeyFBNRPVOHDULKGM-UHFFFAOYSA-N
XLogP2.78
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[4-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-4-oxobutyl]benzamide
CID 26820776
4-tert-butyl-N-[3-[2-(furan-2-carbonyl)hydrazinyl]-3-oxopropyl]benzamide
CID 9477234
N-[4-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-4-oxobutyl]furan-2-carboxamide
CID 34282135
N'-(4-bromobenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 2715709
N-[4-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-4-oxobutyl]-2-ethoxybenzamide
CID 9084951
N'-(4-tert-butylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
CID 26980804
N-[2-[2-[(4-chlorobenzoyl)amino]ethylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 55917649
N'-(2-methoxyacetyl)-2,5-dimethylfuran-3-carbohydrazide
CID 47102396
1-N',6-N'-bis(4-tert-butylbenzoyl)hexanedihydrazide
CID 4209045
2,5-dimethyl-N'-[4-(methylsulfonylmethyl)benzoyl]furan-3-carbohydrazide
CID 9468106
4-tert-butyl-N-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-oxopropyl]benzamide
CID 110878328
[4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]phenyl]urea
CID 26028190

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[3-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-3-oxopropyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[3-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-3-oxopropyl]benzamide (CID 4787903) is 4-tert-butyl-N-[3-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-3-oxopropyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[3-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-3-oxopropyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[3-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-3-oxopropyl]benzamide is Cc1cc(C(=O)NNC(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)c(C)o1.
What is the InChIKey of 4-tert-butyl-N-[3-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-3-oxopropyl]benzamide?
The InChIKey is FBNRPVOHDULKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-13-12-17(14(2)28-13)20(27)24-23-18(25)10-11-22-19(26)15-6-8-16(9-7-15)21(3,4)5/h6-9,12H,10-11H2,1-5H3,(H,22,26)(H,23,25)(H,24,27).
What are the key properties of 4-tert-butyl-N-[3-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-3-oxopropyl]benzamide?
4-tert-butyl-N-[3-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-3-oxopropyl]benzamide has a molecular weight of 385.46 g/mol, XLogP of 2.78, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[3-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-3-oxopropyl]benzamide is sourced from PubChem (CID 4787903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).