3-methyl-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzohydrazide;molecular hydrogen

C20H26N2O — CID 170976831

IUPAC3-methyl-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzohydrazide;molecular hydrogen
SMILESCc1cccc(C(=O)NNC(C)c2ccc3c(c2)CCCC3)c1.[H][H]
InChIInChI=1S/C20H24N2O.H2/c1-14-6-5-9-19(12-14)20(23)22-21-15(2)17-11-10-16-7-3-4-8-18(16)13-17;/h5-6,9-13,15,21H,3-4,7-8H2,1-2H3,(H,22,23);1H
InChIKeyLMDYYMNHTKQRMI-UHFFFAOYSA-N
MW310.44 g/mol
LogP4.12
Rot. Bonds4

About 3-methyl-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzohydrazide;molecular hydrogen

3-methyl-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzohydrazide;molecular hydrogen (PubChem CID 170976831) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 3-methyl-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzohydrazide;molecular hydrogen.

Molecular Properties

Compound Name3-methyl-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzohydrazide;molecular hydrogen
PubChem CID170976831
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name3-methyl-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzohydrazide;molecular hydrogen
SMILESCc1cccc(C(=O)NNC(C)c2ccc3c(c2)CCCC3)c1.[H][H]
InChIInChI=1S/C20H24N2O.H2/c1-14-6-5-9-19(12-14)20(23)22-21-15(2)17-11-10-16-7-3-4-8-18(16)13-17;/h5-6,9-13,15,21H,3-4,7-8H2,1-2H3,(H,22,23);1H
InChIKeyLMDYYMNHTKQRMI-UHFFFAOYSA-N
XLogP4.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 2941760
3-methoxy-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 2201463
tert-butyl N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]carbamate
CID 107236604
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methylbenzamide
CID 133191255
2-(3-methylphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 133188150
5,6,7,8-tetrahydronaphthalen-2-yl 3-methylbenzoate
CID 110493634
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(3-methylphenoxy)propanamide
CID 133188915
N-[2-oxo-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]benzamide
CID 9395259
3-prop-2-enoxy-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 2225872
4-hydroxy-1-(3-methylphenyl)-6-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyridazine-3-carboxamide
CID 108785018
3-(azepan-1-ylsulfonyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 133190863
N'-benzoyl-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide
CID 9471660

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzohydrazide;molecular hydrogen?
The IUPAC name of 3-methyl-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzohydrazide;molecular hydrogen (CID 170976831) is 3-methyl-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzohydrazide;molecular hydrogen.
What is the SMILES notation for 3-methyl-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzohydrazide;molecular hydrogen?
The canonical SMILES for 3-methyl-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzohydrazide;molecular hydrogen is Cc1cccc(C(=O)NNC(C)c2ccc3c(c2)CCCC3)c1.[H][H].
What is the InChIKey of 3-methyl-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzohydrazide;molecular hydrogen?
The InChIKey is LMDYYMNHTKQRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O.H2/c1-14-6-5-9-19(12-14)20(23)22-21-15(2)17-11-10-16-7-3-4-8-18(16)13-17;/h5-6,9-13,15,21H,3-4,7-8H2,1-2H3,(H,22,23);1H.
What are the key properties of 3-methyl-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzohydrazide;molecular hydrogen?
3-methyl-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzohydrazide;molecular hydrogen has a molecular weight of 310.44 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzohydrazide;molecular hydrogen is sourced from PubChem (CID 170976831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).