3-(hydrazinecarbonyl)-N-(pentan-2-ylideneamino)benzamide

C13H18N4O2 — CID 151685716

IUPAC3-(hydrazinecarbonyl)-N-(pentan-2-ylideneamino)benzamide
SMILESCCCC(C)=NNC(=O)c1cccc(C(=O)NN)c1
InChIInChI=1S/C13H18N4O2/c1-3-5-9(2)16-17-13(19)11-7-4-6-10(8-11)12(18)15-14/h4,6-8H,3,5,14H2,1-2H3,(H,15,18)(H,17,19)
InChIKeyRBMMDMBMVKEMNS-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.20
Rot. Bonds5

About 3-(hydrazinecarbonyl)-N-(pentan-2-ylideneamino)benzamide

3-(hydrazinecarbonyl)-N-(pentan-2-ylideneamino)benzamide (PubChem CID 151685716) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-(hydrazinecarbonyl)-N-(pentan-2-ylideneamino)benzamide.

Molecular Properties

Compound Name3-(hydrazinecarbonyl)-N-(pentan-2-ylideneamino)benzamide
PubChem CID151685716
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name3-(hydrazinecarbonyl)-N-(pentan-2-ylideneamino)benzamide
SMILESCCCC(C)=NNC(=O)c1cccc(C(=O)NN)c1
InChIInChI=1S/C13H18N4O2/c1-3-5-9(2)16-17-13(19)11-7-4-6-10(8-11)12(18)15-14/h4,6-8H,3,5,14H2,1-2H3,(H,15,18)(H,17,19)
InChIKeyRBMMDMBMVKEMNS-UHFFFAOYSA-N
XLogP1.20
TPSA96.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(hexan-2-ylideneamino)-3-methylbenzamide
CID 5109597
4-amino-N-[(Z)-pentan-2-ylideneamino]benzamide
CID 9070750
4-fluoro-N-[(Z)-pentan-2-ylideneamino]benzamide
CID 6026016
3,4-dimethoxy-N-[(Z)-pentan-2-ylideneamino]benzamide
CID 6311607
N-[(Z)-pentan-2-ylideneamino]pyridine-4-carboxamide
CID 6114549
3,4,5-triethoxy-N-[(E)-pentan-2-ylideneamino]benzamide
CID 19685354
2-hydroxy-3-(2-hydroxybenzoyl)-N-[(E)-pentan-2-ylideneamino]benzamide
CID 141408132
4-nitro-N-(pentan-2-ylideneamino)benzamide
CID 5106021
N-[(E)-hexan-2-ylideneamino]-3,4-dimethylbenzamide
CID 19685456
N-[(Z)-pentan-2-ylideneamino]thiophene-2-carboxamide
CID 6088045
ethyl 3-(hydrazinecarbonyl)benzoate
CID 131844336
ethyl (2S)-2-ethyl-3-[(3-methylbenzoyl)hydrazinylidene]butanoate
CID 7104050

Frequently Asked Questions

What is the IUPAC name of 3-(hydrazinecarbonyl)-N-(pentan-2-ylideneamino)benzamide?
The IUPAC name of 3-(hydrazinecarbonyl)-N-(pentan-2-ylideneamino)benzamide (CID 151685716) is 3-(hydrazinecarbonyl)-N-(pentan-2-ylideneamino)benzamide.
What is the SMILES notation for 3-(hydrazinecarbonyl)-N-(pentan-2-ylideneamino)benzamide?
The canonical SMILES for 3-(hydrazinecarbonyl)-N-(pentan-2-ylideneamino)benzamide is CCCC(C)=NNC(=O)c1cccc(C(=O)NN)c1.
What is the InChIKey of 3-(hydrazinecarbonyl)-N-(pentan-2-ylideneamino)benzamide?
The InChIKey is RBMMDMBMVKEMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-3-5-9(2)16-17-13(19)11-7-4-6-10(8-11)12(18)15-14/h4,6-8H,3,5,14H2,1-2H3,(H,15,18)(H,17,19).
What are the key properties of 3-(hydrazinecarbonyl)-N-(pentan-2-ylideneamino)benzamide?
3-(hydrazinecarbonyl)-N-(pentan-2-ylideneamino)benzamide has a molecular weight of 262.31 g/mol, XLogP of 1.20, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydrazinecarbonyl)-N-(pentan-2-ylideneamino)benzamide is sourced from PubChem (CID 151685716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).