N-[(2S)-1-[2-(furan-2-carbonyl)hydrazinyl]-1-oxopropan-2-yl]-3-methylbenzamide

C16H17N3O4 — CID 9366850

IUPACN-[(2S)-1-[2-(furan-2-carbonyl)hydrazinyl]-1-oxopropan-2-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)N[C@@H](C)C(=O)NNC(=O)c2ccco2)c1
InChIInChI=1S/C16H17N3O4/c1-10-5-3-6-12(9-10)15(21)17-11(2)14(20)18-19-16(22)13-7-4-8-23-13/h3-9,11H,1-2H3,(H,17,21)(H,18,20)(H,19,22)/t11-/m0/s1
InChIKeyZOXJRJVTKYWGGA-NSHDSACASA-N
MW315.33 g/mol
LogP1.17
Rot. Bonds4

About N-[(2S)-1-[2-(furan-2-carbonyl)hydrazinyl]-1-oxopropan-2-yl]-3-methylbenzamide

N-[(2S)-1-[2-(furan-2-carbonyl)hydrazinyl]-1-oxopropan-2-yl]-3-methylbenzamide (PubChem CID 9366850) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is N-[(2S)-1-[2-(furan-2-carbonyl)hydrazinyl]-1-oxopropan-2-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[(2S)-1-[2-(furan-2-carbonyl)hydrazinyl]-1-oxopropan-2-yl]-3-methylbenzamide
PubChem CID9366850
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC NameN-[(2S)-1-[2-(furan-2-carbonyl)hydrazinyl]-1-oxopropan-2-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)N[C@@H](C)C(=O)NNC(=O)c2ccco2)c1
InChIInChI=1S/C16H17N3O4/c1-10-5-3-6-12(9-10)15(21)17-11(2)14(20)18-19-16(22)13-7-4-8-23-13/h3-9,11H,1-2H3,(H,17,21)(H,18,20)(H,19,22)/t11-/m0/s1
InChIKeyZOXJRJVTKYWGGA-NSHDSACASA-N
XLogP1.17
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.17
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

N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]-3-methylbenzamide
CID 3347367
N-[(2S)-1-(2,2-dimethylhydrazinyl)-1-oxopropan-2-yl]-3-methylbenzamide
CID 9179483
N-[(1R)-1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]-3-methylbenzamide
CID 93199025
N-[(1R)-1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]-3-methylbenzamide
CID 93199023
N-[(2S)-1-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-1-oxopropan-2-yl]-3-methylbenzamide
CID 9157792
3-methyl-N-[1-oxo-1-(1-phenylethylamino)propan-2-yl]benzamide
CID 46757042
N-[1-(furan-2-yl)ethylideneamino]-3-methylbenzamide
CID 910469
3-methyl-N-(3-methylbutan-2-yl)benzamide
CID 18712138
3-methyl-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 94665537
N-[(2S)-1-[2-(4-butoxy-3-methoxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]furan-2-carboxamide
CID 24553444
N-[(2S)-3-methyl-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxobutan-2-yl]furan-2-carboxamide
CID 9365986
N-[(2S)-1-[2-[(2S)-2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-1-oxopropan-2-yl]-3-methylbenzamide
CID 9425095

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[2-(furan-2-carbonyl)hydrazinyl]-1-oxopropan-2-yl]-3-methylbenzamide?
The IUPAC name of N-[(2S)-1-[2-(furan-2-carbonyl)hydrazinyl]-1-oxopropan-2-yl]-3-methylbenzamide (CID 9366850) is N-[(2S)-1-[2-(furan-2-carbonyl)hydrazinyl]-1-oxopropan-2-yl]-3-methylbenzamide.
What is the SMILES notation for N-[(2S)-1-[2-(furan-2-carbonyl)hydrazinyl]-1-oxopropan-2-yl]-3-methylbenzamide?
The canonical SMILES for N-[(2S)-1-[2-(furan-2-carbonyl)hydrazinyl]-1-oxopropan-2-yl]-3-methylbenzamide is Cc1cccc(C(=O)N[C@@H](C)C(=O)NNC(=O)c2ccco2)c1.
What is the InChIKey of N-[(2S)-1-[2-(furan-2-carbonyl)hydrazinyl]-1-oxopropan-2-yl]-3-methylbenzamide?
The InChIKey is ZOXJRJVTKYWGGA-NSHDSACASA-N. The full InChI is InChI=1S/C16H17N3O4/c1-10-5-3-6-12(9-10)15(21)17-11(2)14(20)18-19-16(22)13-7-4-8-23-13/h3-9,11H,1-2H3,(H,17,21)(H,18,20)(H,19,22)/t11-/m0/s1.
What are the key properties of N-[(2S)-1-[2-(furan-2-carbonyl)hydrazinyl]-1-oxopropan-2-yl]-3-methylbenzamide?
N-[(2S)-1-[2-(furan-2-carbonyl)hydrazinyl]-1-oxopropan-2-yl]-3-methylbenzamide has a molecular weight of 315.33 g/mol, XLogP of 1.17, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[2-(furan-2-carbonyl)hydrazinyl]-1-oxopropan-2-yl]-3-methylbenzamide is sourced from PubChem (CID 9366850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).