4-[(2-methylhydrazinyl)methyl]-N-pentylbenzamide

C14H23N3O — CID 54400286

IUPAC4-[(2-methylhydrazinyl)methyl]-N-pentylbenzamide
SMILESCCCCCNC(=O)c1ccc(CNNC)cc1
InChIInChI=1S/C14H23N3O/c1-3-4-5-10-16-14(18)13-8-6-12(7-9-13)11-17-15-2/h6-9,15,17H,3-5,10-11H2,1-2H3,(H,16,18)
InChIKeyVMYDSSBWFADZTQ-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.83
Rot. Bonds8

About 4-[(2-methylhydrazinyl)methyl]-N-pentylbenzamide

4-[(2-methylhydrazinyl)methyl]-N-pentylbenzamide (PubChem CID 54400286) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-[(2-methylhydrazinyl)methyl]-N-pentylbenzamide.

Molecular Properties

Compound Name4-[(2-methylhydrazinyl)methyl]-N-pentylbenzamide
PubChem CID54400286
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name4-[(2-methylhydrazinyl)methyl]-N-pentylbenzamide
SMILESCCCCCNC(=O)c1ccc(CNNC)cc1
InChIInChI=1S/C14H23N3O/c1-3-4-5-10-16-14(18)13-8-6-12(7-9-13)11-17-15-2/h6-9,15,17H,3-5,10-11H2,1-2H3,(H,16,18)
InChIKeyVMYDSSBWFADZTQ-UHFFFAOYSA-N
XLogP1.83
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-pentyl-4-propylbenzamide
CID 70894308
4-(chloromethyl)-N-hexylbenzamide
CID 43168029
N-hexyl-4-propylbenzamide
CID 70894310
N-hexyl-4-[(propan-2-ylamino)methyl]benzamide
CID 171639539
ethane;N-hexyl-4-[(propan-2-ylamino)methyl]benzamide
CID 171639538
4-(aminomethyl)-N-dodecylbenzamide
CID 67188292
4-(hydroperoxymethyl)-N-octadecylbenzamide
CID 54494073
4-(cyanomethyl)-N-pentylbenzamide
CID 82178782
4-bromo-N-pentylbenzamide
CID 4167913
N-decyl-4-hydroxybenzamide
CID 15277871
CID 131885807
CID 131885807
N-dodecyl-4-[[(4-methylsulfonylphenyl)methylamino]methyl]benzamide
CID 69291989

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylhydrazinyl)methyl]-N-pentylbenzamide?
The IUPAC name of 4-[(2-methylhydrazinyl)methyl]-N-pentylbenzamide (CID 54400286) is 4-[(2-methylhydrazinyl)methyl]-N-pentylbenzamide.
What is the SMILES notation for 4-[(2-methylhydrazinyl)methyl]-N-pentylbenzamide?
The canonical SMILES for 4-[(2-methylhydrazinyl)methyl]-N-pentylbenzamide is CCCCCNC(=O)c1ccc(CNNC)cc1.
What is the InChIKey of 4-[(2-methylhydrazinyl)methyl]-N-pentylbenzamide?
The InChIKey is VMYDSSBWFADZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-4-5-10-16-14(18)13-8-6-12(7-9-13)11-17-15-2/h6-9,15,17H,3-5,10-11H2,1-2H3,(H,16,18).
What are the key properties of 4-[(2-methylhydrazinyl)methyl]-N-pentylbenzamide?
4-[(2-methylhydrazinyl)methyl]-N-pentylbenzamide has a molecular weight of 249.36 g/mol, XLogP of 1.83, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylhydrazinyl)methyl]-N-pentylbenzamide is sourced from PubChem (CID 54400286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).