N-(2,2-dimethylpentan-3-yl)-3-methoxy-2-methylbenzohydrazide

C16H26N2O2 — CID 66764185

IUPACN-(2,2-dimethylpentan-3-yl)-3-methoxy-2-methylbenzohydrazide
SMILESCCC(N(N)C(=O)c1cccc(OC)c1C)C(C)(C)C
InChIInChI=1S/C16H26N2O2/c1-7-14(16(3,4)5)18(17)15(19)12-9-8-10-13(20-6)11(12)2/h8-10,14H,7,17H2,1-6H3
InChIKeyICGZKODEMQMSMI-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.14
Rot. Bonds4

About N-(2,2-dimethylpentan-3-yl)-3-methoxy-2-methylbenzohydrazide

N-(2,2-dimethylpentan-3-yl)-3-methoxy-2-methylbenzohydrazide (PubChem CID 66764185) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-(2,2-dimethylpentan-3-yl)-3-methoxy-2-methylbenzohydrazide.

Molecular Properties

Compound NameN-(2,2-dimethylpentan-3-yl)-3-methoxy-2-methylbenzohydrazide
PubChem CID66764185
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-(2,2-dimethylpentan-3-yl)-3-methoxy-2-methylbenzohydrazide
SMILESCCC(N(N)C(=O)c1cccc(OC)c1C)C(C)(C)C
InChIInChI=1S/C16H26N2O2/c1-7-14(16(3,4)5)18(17)15(19)12-9-8-10-13(20-6)11(12)2/h8-10,14H,7,17H2,1-6H3
InChIKeyICGZKODEMQMSMI-UHFFFAOYSA-N
XLogP3.14
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(3,5-dimethylbenzoyl)-N-(2,2-dimethylpentan-3-yl)-3-methoxy-2-methylbenzohydrazide
CID 174925580
N-[(3S)-2,2-dimethylhexan-3-yl]-3,5-dimethoxy-N'-(3-methoxy-2-methylbenzoyl)-4-methylbenzohydrazide
CID 25141514
bis(3-methoxy-2-methylphenyl)methanone
CID 139698462
3-methoxy-2-methylbenzohydrazide
CID 45091273
3-methoxy-2-methylbenzenecarboperoxoic acid
CID 174349354
methyl 3-methoxy-2-methylbenzoate
CID 12527049
2-chloro-1-(3-methoxy-2-methylphenyl)propan-1-one
CID 130910393
N'-(3,5-dimethylbenzoyl)-N'-(2,2-dimethylpentan-3-yl)-2-ethyl-3-methoxybenzohydrazide
CID 66764183
(E)-2-(3-methoxy-2-methylphenyl)-3-methylpent-2-enamide
CID 142080464
3-methoxy-2-(2-methylbutan-2-yl)benzamide
CID 146620823
3-amino-2-(3-methoxy-2-methylphenyl)propanoic acid
CID 115005834
dipotassium;dichloromethane;N-(2,2-dimethylpentan-3-yl)-3,5-dimethoxy-N'-(3-methoxy-2-methylbenzoyl)-4-methylbenzohydrazide;N-(2-ethyl-3,3-dimethylbutyl)-3-methoxy-2-methylbenzamide;hydride;oxido formate
CID 158546917

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpentan-3-yl)-3-methoxy-2-methylbenzohydrazide?
The IUPAC name of N-(2,2-dimethylpentan-3-yl)-3-methoxy-2-methylbenzohydrazide (CID 66764185) is N-(2,2-dimethylpentan-3-yl)-3-methoxy-2-methylbenzohydrazide.
What is the SMILES notation for N-(2,2-dimethylpentan-3-yl)-3-methoxy-2-methylbenzohydrazide?
The canonical SMILES for N-(2,2-dimethylpentan-3-yl)-3-methoxy-2-methylbenzohydrazide is CCC(N(N)C(=O)c1cccc(OC)c1C)C(C)(C)C.
What is the InChIKey of N-(2,2-dimethylpentan-3-yl)-3-methoxy-2-methylbenzohydrazide?
The InChIKey is ICGZKODEMQMSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-7-14(16(3,4)5)18(17)15(19)12-9-8-10-13(20-6)11(12)2/h8-10,14H,7,17H2,1-6H3.
What are the key properties of N-(2,2-dimethylpentan-3-yl)-3-methoxy-2-methylbenzohydrazide?
N-(2,2-dimethylpentan-3-yl)-3-methoxy-2-methylbenzohydrazide has a molecular weight of 278.40 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpentan-3-yl)-3-methoxy-2-methylbenzohydrazide is sourced from PubChem (CID 66764185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).