N'-[(3R)-2,2-dimethylhexan-3-yl]-4-methoxy-N'-methylbenzohydrazide

C17H28N2O2 — CID 167148594

IUPACN'-[(3R)-2,2-dimethylhexan-3-yl]-4-methoxy-N'-methylbenzohydrazide
SMILESCCC[C@@H](N(C)NC(=O)c1ccc(OC)cc1)C(C)(C)C
InChIInChI=1S/C17H28N2O2/c1-7-8-15(17(2,3)4)19(5)18-16(20)13-9-11-14(21-6)12-10-13/h9-12,15H,7-8H2,1-6H3,(H,18,20)/t15-/m1/s1
InChIKeyDOCQZWIAMUFYQL-OAHLLOKOSA-N
MW292.42 g/mol
LogP3.49
Rot. Bonds6

About N'-[(3R)-2,2-dimethylhexan-3-yl]-4-methoxy-N'-methylbenzohydrazide

N'-[(3R)-2,2-dimethylhexan-3-yl]-4-methoxy-N'-methylbenzohydrazide (PubChem CID 167148594) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N'-[(3R)-2,2-dimethylhexan-3-yl]-4-methoxy-N'-methylbenzohydrazide.

Molecular Properties

Compound NameN'-[(3R)-2,2-dimethylhexan-3-yl]-4-methoxy-N'-methylbenzohydrazide
PubChem CID167148594
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN'-[(3R)-2,2-dimethylhexan-3-yl]-4-methoxy-N'-methylbenzohydrazide
SMILESCCC[C@@H](N(C)NC(=O)c1ccc(OC)cc1)C(C)(C)C
InChIInChI=1S/C17H28N2O2/c1-7-8-15(17(2,3)4)19(5)18-16(20)13-9-11-14(21-6)12-10-13/h9-12,15H,7-8H2,1-6H3,(H,18,20)/t15-/m1/s1
InChIKeyDOCQZWIAMUFYQL-OAHLLOKOSA-N
XLogP3.49
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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N-(dipropylcarbamothioyl)-4-methoxybenzamide
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N-[2-(2-chloroethyl)pentyl]-4-methoxybenzamide
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2-ethyl-1-(4-methoxyphenyl)pentan-1-one
CID 122369816
N-(1-hydroxy-2-methylbutan-2-yl)-4-methoxybenzamide
CID 64557752
2-(dibutylamino)-1-(4-methoxyphenyl)-2-methylpropan-1-one
CID 19879504
3-(4-methoxyphenyl)-N,N-dimethyl-3-oxopropanamide
CID 165177985
N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-4-methoxybenzamide
CID 45001600
4-methoxy-N-pentylbenzamide
CID 3113360
3-(4-methoxyphenyl)-4-N,4-N-dimethylheptane-3,4-diamine
CID 43829878
N-[(2S)-1-(dimethylamino)-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 7613130

Frequently Asked Questions

What is the IUPAC name of N'-[(3R)-2,2-dimethylhexan-3-yl]-4-methoxy-N'-methylbenzohydrazide?
The IUPAC name of N'-[(3R)-2,2-dimethylhexan-3-yl]-4-methoxy-N'-methylbenzohydrazide (CID 167148594) is N'-[(3R)-2,2-dimethylhexan-3-yl]-4-methoxy-N'-methylbenzohydrazide.
What is the SMILES notation for N'-[(3R)-2,2-dimethylhexan-3-yl]-4-methoxy-N'-methylbenzohydrazide?
The canonical SMILES for N'-[(3R)-2,2-dimethylhexan-3-yl]-4-methoxy-N'-methylbenzohydrazide is CCC[C@@H](N(C)NC(=O)c1ccc(OC)cc1)C(C)(C)C.
What is the InChIKey of N'-[(3R)-2,2-dimethylhexan-3-yl]-4-methoxy-N'-methylbenzohydrazide?
The InChIKey is DOCQZWIAMUFYQL-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-7-8-15(17(2,3)4)19(5)18-16(20)13-9-11-14(21-6)12-10-13/h9-12,15H,7-8H2,1-6H3,(H,18,20)/t15-/m1/s1.
What are the key properties of N'-[(3R)-2,2-dimethylhexan-3-yl]-4-methoxy-N'-methylbenzohydrazide?
N'-[(3R)-2,2-dimethylhexan-3-yl]-4-methoxy-N'-methylbenzohydrazide has a molecular weight of 292.42 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3R)-2,2-dimethylhexan-3-yl]-4-methoxy-N'-methylbenzohydrazide is sourced from PubChem (CID 167148594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).