N-hexan-2-yl-4-hydrazinyl-3-methylbenzamide

C14H23N3O — CID 63211510

IUPACN-hexan-2-yl-4-hydrazinyl-3-methylbenzamide
SMILESCCCCC(C)NC(=O)c1ccc(NN)c(C)c1
InChIInChI=1S/C14H23N3O/c1-4-5-6-11(3)16-14(18)12-7-8-13(17-15)10(2)9-12/h7-9,11,17H,4-6,15H2,1-3H3,(H,16,18)
InChIKeyQDZKOHCWNXMMQH-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.59
Rot. Bonds6

About N-hexan-2-yl-4-hydrazinyl-3-methylbenzamide

N-hexan-2-yl-4-hydrazinyl-3-methylbenzamide (PubChem CID 63211510) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-hexan-2-yl-4-hydrazinyl-3-methylbenzamide.

Molecular Properties

Compound NameN-hexan-2-yl-4-hydrazinyl-3-methylbenzamide
PubChem CID63211510
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-hexan-2-yl-4-hydrazinyl-3-methylbenzamide
SMILESCCCCC(C)NC(=O)c1ccc(NN)c(C)c1
InChIInChI=1S/C14H23N3O/c1-4-5-6-11(3)16-14(18)12-7-8-13(17-15)10(2)9-12/h7-9,11,17H,4-6,15H2,1-3H3,(H,16,18)
InChIKeyQDZKOHCWNXMMQH-UHFFFAOYSA-N
XLogP2.59
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethylpentan-2-yl)-4-hydrazinyl-3-methylbenzamide
CID 63838974
4-hydrazinyl-3-methyl-N-(1-phenylpropan-2-yl)benzamide
CID 63212762
4-(ethylamino)-3-methyl-N-pentan-2-ylbenzamide
CID 55161115
4-(ethylamino)-3-methyl-N-octan-4-ylbenzamide
CID 106027950
N-heptan-2-yl-3-methyl-4-nitrobenzamide
CID 3452244
N-(dicyclopropylmethyl)-4-hydrazinyl-3-methylbenzamide
CID 55162675
4-fluoro-N-hexan-2-ylbenzamide
CID 62199480
4-(ethylamino)-N-(4-methoxybutan-2-yl)-3-methylbenzamide
CID 64605746
3-methyl-4-nitro-N-octan-2-ylbenzamide
CID 43020760
5-[(4-amino-3-methylbenzoyl)amino]hexanoic acid
CID 82846742
2-amino-N-hexan-2-ylpyridine-4-carboxamide
CID 62201408
4-amino-N-hexan-2-yl-3-(trifluoromethyl)benzamide
CID 62199911

Frequently Asked Questions

What is the IUPAC name of N-hexan-2-yl-4-hydrazinyl-3-methylbenzamide?
The IUPAC name of N-hexan-2-yl-4-hydrazinyl-3-methylbenzamide (CID 63211510) is N-hexan-2-yl-4-hydrazinyl-3-methylbenzamide.
What is the SMILES notation for N-hexan-2-yl-4-hydrazinyl-3-methylbenzamide?
The canonical SMILES for N-hexan-2-yl-4-hydrazinyl-3-methylbenzamide is CCCCC(C)NC(=O)c1ccc(NN)c(C)c1.
What is the InChIKey of N-hexan-2-yl-4-hydrazinyl-3-methylbenzamide?
The InChIKey is QDZKOHCWNXMMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-5-6-11(3)16-14(18)12-7-8-13(17-15)10(2)9-12/h7-9,11,17H,4-6,15H2,1-3H3,(H,16,18).
What are the key properties of N-hexan-2-yl-4-hydrazinyl-3-methylbenzamide?
N-hexan-2-yl-4-hydrazinyl-3-methylbenzamide has a molecular weight of 249.36 g/mol, XLogP of 2.59, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-2-yl-4-hydrazinyl-3-methylbenzamide is sourced from PubChem (CID 63211510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).