N',N'-di(propan-2-yl)naphthalene-1-carbohydrazide

C17H22N2O — CID 809764

IUPACN',N'-di(propan-2-yl)naphthalene-1-carbohydrazide
SMILESCC(C)N(NC(=O)c1cccc2ccccc12)C(C)C
InChIInChI=1S/C17H22N2O/c1-12(2)19(13(3)4)18-17(20)16-11-7-9-14-8-5-6-10-15(14)16/h5-13H,1-4H3,(H,18,20)
InChIKeyCKLZWCCPNQVFRA-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.60
Rot. Bonds4

About N',N'-di(propan-2-yl)naphthalene-1-carbohydrazide

N',N'-di(propan-2-yl)naphthalene-1-carbohydrazide (PubChem CID 809764) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N',N'-di(propan-2-yl)naphthalene-1-carbohydrazide.

Molecular Properties

Compound NameN',N'-di(propan-2-yl)naphthalene-1-carbohydrazide
PubChem CID809764
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN',N'-di(propan-2-yl)naphthalene-1-carbohydrazide
SMILESCC(C)N(NC(=O)c1cccc2ccccc12)C(C)C
InChIInChI=1S/C17H22N2O/c1-12(2)19(13(3)4)18-17(20)16-11-7-9-14-8-5-6-10-15(14)16/h5-13H,1-4H3,(H,18,20)
InChIKeyCKLZWCCPNQVFRA-UHFFFAOYSA-N
XLogP3.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N',N'-di(propan-2-yl)naphthalene-1-carbohydrazide?
The IUPAC name of N',N'-di(propan-2-yl)naphthalene-1-carbohydrazide (CID 809764) is N',N'-di(propan-2-yl)naphthalene-1-carbohydrazide.
What is the SMILES notation for N',N'-di(propan-2-yl)naphthalene-1-carbohydrazide?
The canonical SMILES for N',N'-di(propan-2-yl)naphthalene-1-carbohydrazide is CC(C)N(NC(=O)c1cccc2ccccc12)C(C)C.
What is the InChIKey of N',N'-di(propan-2-yl)naphthalene-1-carbohydrazide?
The InChIKey is CKLZWCCPNQVFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-12(2)19(13(3)4)18-17(20)16-11-7-9-14-8-5-6-10-15(14)16/h5-13H,1-4H3,(H,18,20).
What are the key properties of N',N'-di(propan-2-yl)naphthalene-1-carbohydrazide?
N',N'-di(propan-2-yl)naphthalene-1-carbohydrazide has a molecular weight of 270.38 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-di(propan-2-yl)naphthalene-1-carbohydrazide is sourced from PubChem (CID 809764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).