ethane;N-methyl-4-[(2-methylhydrazinyl)methyl]benzamide

C12H21N3O — CID 153377467

IUPACethane;N-methyl-4-[(2-methylhydrazinyl)methyl]benzamide
SMILESCC.CNNCc1ccc(C(=O)NC)cc1
InChIInChI=1S/C10H15N3O.C2H6/c1-11-10(14)9-5-3-8(4-6-9)7-13-12-2;1-2/h3-6,12-13H,7H2,1-2H3,(H,11,14);1-2H3
InChIKeyGMBQXFXHQAXVOJ-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.30
Rot. Bonds4

About ethane;N-methyl-4-[(2-methylhydrazinyl)methyl]benzamide

ethane;N-methyl-4-[(2-methylhydrazinyl)methyl]benzamide (PubChem CID 153377467) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is ethane;N-methyl-4-[(2-methylhydrazinyl)methyl]benzamide.

Molecular Properties

Compound Nameethane;N-methyl-4-[(2-methylhydrazinyl)methyl]benzamide
PubChem CID153377467
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Nameethane;N-methyl-4-[(2-methylhydrazinyl)methyl]benzamide
SMILESCC.CNNCc1ccc(C(=O)NC)cc1
InChIInChI=1S/C10H15N3O.C2H6/c1-11-10(14)9-5-3-8(4-6-9)7-13-12-2;1-2/h3-6,12-13H,7H2,1-2H3,(H,11,14);1-2H3
InChIKeyGMBQXFXHQAXVOJ-UHFFFAOYSA-N
XLogP1.30
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide;hydrochloride
CID 9703
sodium;hydride;4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide
CID 175548560
ethane;N-methyl-4-[(propanoylamino)methyl]benzamide
CID 145404666
4-[(carbamoylamino)methyl]-N-methylbenzamide
CID 39969427
4-[(2-methylhydrazinyl)methyl]-N-pentylbenzamide
CID 54400286
ethane;N-methyl-4-(2-oxopropyl)benzamide
CID 170580328
N-methyl-4-(phosphanylmethyl)benzamide
CID 143273405
N-[4-[(2-methylhydrazinyl)methyl]phenyl]benzamide;hydrobromide
CID 161255145
N-methyl-4-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]benzamide
CID 79358376
4-[(2-methoxyethylamino)methyl]-N-methylbenzamide
CID 60732716
N-methyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 47116390
4-[[4-(methylcarbamoyl)anilino]methyl]benzamide
CID 43232718

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-4-[(2-methylhydrazinyl)methyl]benzamide?
The IUPAC name of ethane;N-methyl-4-[(2-methylhydrazinyl)methyl]benzamide (CID 153377467) is ethane;N-methyl-4-[(2-methylhydrazinyl)methyl]benzamide.
What is the SMILES notation for ethane;N-methyl-4-[(2-methylhydrazinyl)methyl]benzamide?
The canonical SMILES for ethane;N-methyl-4-[(2-methylhydrazinyl)methyl]benzamide is CC.CNNCc1ccc(C(=O)NC)cc1.
What is the InChIKey of ethane;N-methyl-4-[(2-methylhydrazinyl)methyl]benzamide?
The InChIKey is GMBQXFXHQAXVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O.C2H6/c1-11-10(14)9-5-3-8(4-6-9)7-13-12-2;1-2/h3-6,12-13H,7H2,1-2H3,(H,11,14);1-2H3.
What are the key properties of ethane;N-methyl-4-[(2-methylhydrazinyl)methyl]benzamide?
ethane;N-methyl-4-[(2-methylhydrazinyl)methyl]benzamide has a molecular weight of 223.32 g/mol, XLogP of 1.30, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-4-[(2-methylhydrazinyl)methyl]benzamide is sourced from PubChem (CID 153377467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).