N-[2-[6-[(Z)-N'-hydrazinylcarbamimidoyl]naphthalen-2-yl]oxyethyl]-N-methylbenzamide;molecular hydrogen

C21H25N5O2 — CID 178089883

IUPACN-[2-[6-[(Z)-N'-hydrazinylcarbamimidoyl]naphthalen-2-yl]oxyethyl]-N-methylbenzamide;molecular hydrogen
SMILESCN(CCOc1ccc2cc(/C(N)=N/NN)ccc2c1)C(=O)c1ccccc1.[H][H]
InChIInChI=1S/C21H23N5O2.H2/c1-26(21(27)15-5-3-2-4-6-15)11-12-28-19-10-9-16-13-18(20(22)24-25-23)8-7-17(16)14-19;/h2-10,13-14,25H,11-12,23H2,1H3,(H2,22,24);1H
InChIKeyUJWKYPFDGSPCMM-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.32
Rot. Bonds7

About N-[2-[6-[(Z)-N'-hydrazinylcarbamimidoyl]naphthalen-2-yl]oxyethyl]-N-methylbenzamide;molecular hydrogen

N-[2-[6-[(Z)-N'-hydrazinylcarbamimidoyl]naphthalen-2-yl]oxyethyl]-N-methylbenzamide;molecular hydrogen (PubChem CID 178089883) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[2-[6-[(Z)-N'-hydrazinylcarbamimidoyl]naphthalen-2-yl]oxyethyl]-N-methylbenzamide;molecular hydrogen.

Molecular Properties

Compound NameN-[2-[6-[(Z)-N'-hydrazinylcarbamimidoyl]naphthalen-2-yl]oxyethyl]-N-methylbenzamide;molecular hydrogen
PubChem CID178089883
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC NameN-[2-[6-[(Z)-N'-hydrazinylcarbamimidoyl]naphthalen-2-yl]oxyethyl]-N-methylbenzamide;molecular hydrogen
SMILESCN(CCOc1ccc2cc(/C(N)=N/NN)ccc2c1)C(=O)c1ccccc1.[H][H]
InChIInChI=1S/C21H23N5O2.H2/c1-26(21(27)15-5-3-2-4-6-15)11-12-28-19-10-9-16-13-18(20(22)24-25-23)8-7-17(16)14-19;/h2-10,13-14,25H,11-12,23H2,1H3,(H2,22,24);1H
InChIKeyUJWKYPFDGSPCMM-UHFFFAOYSA-N
XLogP2.32
TPSA105.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3,4-dimethylphenoxy)ethyl]-N-methylbenzamide
CID 178089820
N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 60676178
methyl 6-[2-(N-methylanilino)ethoxy]naphthalene-2-carboxylate
CID 178089831
3-[methyl(3-naphthalen-2-yloxypropyl)amino]propanoic acid
CID 82224138
3-(carbamoylamino)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide
CID 9225229
N-methyl-N-[2-[4-(2-methylindole-1-carbonyl)phenoxy]ethyl]benzamide
CID 141042895
4-acetamido-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 27447007
N-[2-(2-fluorophenoxy)ethyl]-N-methylnaphthalene-2-carboxamide
CID 26960272
4-(2-amino-2-oxoethoxy)-3-methoxy-N-methyl-N-(2-phenoxyethyl)benzamide
CID 17431378
4-acetamido-N-[2-(4-bromophenoxy)ethyl]-N-methylbenzamide
CID 27811339
N-(2-ethoxyethyl)-N-methylbenzamide
CID 81074695
4-(methoxymethyl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide
CID 78794092

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-[(Z)-N'-hydrazinylcarbamimidoyl]naphthalen-2-yl]oxyethyl]-N-methylbenzamide;molecular hydrogen?
The IUPAC name of N-[2-[6-[(Z)-N'-hydrazinylcarbamimidoyl]naphthalen-2-yl]oxyethyl]-N-methylbenzamide;molecular hydrogen (CID 178089883) is N-[2-[6-[(Z)-N'-hydrazinylcarbamimidoyl]naphthalen-2-yl]oxyethyl]-N-methylbenzamide;molecular hydrogen.
What is the SMILES notation for N-[2-[6-[(Z)-N'-hydrazinylcarbamimidoyl]naphthalen-2-yl]oxyethyl]-N-methylbenzamide;molecular hydrogen?
The canonical SMILES for N-[2-[6-[(Z)-N'-hydrazinylcarbamimidoyl]naphthalen-2-yl]oxyethyl]-N-methylbenzamide;molecular hydrogen is CN(CCOc1ccc2cc(/C(N)=N/NN)ccc2c1)C(=O)c1ccccc1.[H][H].
What is the InChIKey of N-[2-[6-[(Z)-N'-hydrazinylcarbamimidoyl]naphthalen-2-yl]oxyethyl]-N-methylbenzamide;molecular hydrogen?
The InChIKey is UJWKYPFDGSPCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2.H2/c1-26(21(27)15-5-3-2-4-6-15)11-12-28-19-10-9-16-13-18(20(22)24-25-23)8-7-17(16)14-19;/h2-10,13-14,25H,11-12,23H2,1H3,(H2,22,24);1H.
What are the key properties of N-[2-[6-[(Z)-N'-hydrazinylcarbamimidoyl]naphthalen-2-yl]oxyethyl]-N-methylbenzamide;molecular hydrogen?
N-[2-[6-[(Z)-N'-hydrazinylcarbamimidoyl]naphthalen-2-yl]oxyethyl]-N-methylbenzamide;molecular hydrogen has a molecular weight of 379.46 g/mol, XLogP of 2.32, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-[(Z)-N'-hydrazinylcarbamimidoyl]naphthalen-2-yl]oxyethyl]-N-methylbenzamide;molecular hydrogen is sourced from PubChem (CID 178089883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).