N-(3-ethylpentan-2-yl)-4-hydrazinyl-3-methylbenzamide

C15H25N3O — CID 63838974

IUPACN-(3-ethylpentan-2-yl)-4-hydrazinyl-3-methylbenzamide
SMILESCCC(CC)C(C)NC(=O)c1ccc(NN)c(C)c1
InChIInChI=1S/C15H25N3O/c1-5-12(6-2)11(4)17-15(19)13-7-8-14(18-16)10(3)9-13/h7-9,11-12,18H,5-6,16H2,1-4H3,(H,17,19)
InChIKeyPCOPPTKCMDHQSF-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.84
Rot. Bonds6

About N-(3-ethylpentan-2-yl)-4-hydrazinyl-3-methylbenzamide

N-(3-ethylpentan-2-yl)-4-hydrazinyl-3-methylbenzamide (PubChem CID 63838974) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-(3-ethylpentan-2-yl)-4-hydrazinyl-3-methylbenzamide.

Molecular Properties

Compound NameN-(3-ethylpentan-2-yl)-4-hydrazinyl-3-methylbenzamide
PubChem CID63838974
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-(3-ethylpentan-2-yl)-4-hydrazinyl-3-methylbenzamide
SMILESCCC(CC)C(C)NC(=O)c1ccc(NN)c(C)c1
InChIInChI=1S/C15H25N3O/c1-5-12(6-2)11(4)17-15(19)13-7-8-14(18-16)10(3)9-13/h7-9,11-12,18H,5-6,16H2,1-4H3,(H,17,19)
InChIKeyPCOPPTKCMDHQSF-UHFFFAOYSA-N
XLogP2.84
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.84
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

3-amino-N-(3-ethylpentan-2-yl)-4-methylbenzamide
CID 63842494
N-hexan-2-yl-4-hydrazinyl-3-methylbenzamide
CID 63211510
4-hydrazinyl-3-methyl-N-(1-phenylpropan-2-yl)benzamide
CID 63212762
4-amino-N-(3-ethylpentan-2-yl)benzamide
CID 55261321
N-(dicyclopropylmethyl)-4-hydrazinyl-3-methylbenzamide
CID 55162675
4-amino-3-methyl-N-(3-methylpentan-2-yl)benzamide
CID 54950141
N-(3-ethylpentan-2-yl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 63836824
4-bromo-N-(3-ethylpentan-2-yl)benzamide
CID 55260581
6-bromo-N-(3-ethylpentan-2-yl)naphthalene-2-carboxamide
CID 115354010
3-(aminomethyl)-N-(3-ethylpentan-2-yl)benzamide
CID 55261527
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-hydrazinyl-3-methylbenzamide
CID 63211741
N-(3-ethylpentan-2-yl)-4-(methylamino)benzamide
CID 63838621

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylpentan-2-yl)-4-hydrazinyl-3-methylbenzamide?
The IUPAC name of N-(3-ethylpentan-2-yl)-4-hydrazinyl-3-methylbenzamide (CID 63838974) is N-(3-ethylpentan-2-yl)-4-hydrazinyl-3-methylbenzamide.
What is the SMILES notation for N-(3-ethylpentan-2-yl)-4-hydrazinyl-3-methylbenzamide?
The canonical SMILES for N-(3-ethylpentan-2-yl)-4-hydrazinyl-3-methylbenzamide is CCC(CC)C(C)NC(=O)c1ccc(NN)c(C)c1.
What is the InChIKey of N-(3-ethylpentan-2-yl)-4-hydrazinyl-3-methylbenzamide?
The InChIKey is PCOPPTKCMDHQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-5-12(6-2)11(4)17-15(19)13-7-8-14(18-16)10(3)9-13/h7-9,11-12,18H,5-6,16H2,1-4H3,(H,17,19).
What are the key properties of N-(3-ethylpentan-2-yl)-4-hydrazinyl-3-methylbenzamide?
N-(3-ethylpentan-2-yl)-4-hydrazinyl-3-methylbenzamide has a molecular weight of 263.38 g/mol, XLogP of 2.84, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylpentan-2-yl)-4-hydrazinyl-3-methylbenzamide is sourced from PubChem (CID 63838974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).