N-tert-butyl-2-formyl-3-naphthalen-1-ylpropanamide

C18H21NO2 — CID 19592247

IUPACN-tert-butyl-2-formyl-3-naphthalen-1-ylpropanamide
SMILESCC(C)(C)NC(=O)C(C=O)Cc1cccc2ccccc12
InChIInChI=1S/C18H21NO2/c1-18(2,3)19-17(21)15(12-20)11-14-9-6-8-13-7-4-5-10-16(13)14/h4-10,12,15H,11H2,1-3H3,(H,19,21)
InChIKeyZWDVEWHFCGLLCM-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.11
Rot. Bonds4

About N-tert-butyl-2-formyl-3-naphthalen-1-ylpropanamide

N-tert-butyl-2-formyl-3-naphthalen-1-ylpropanamide (PubChem CID 19592247) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-tert-butyl-2-formyl-3-naphthalen-1-ylpropanamide.

Molecular Properties

Compound NameN-tert-butyl-2-formyl-3-naphthalen-1-ylpropanamide
PubChem CID19592247
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-tert-butyl-2-formyl-3-naphthalen-1-ylpropanamide
SMILESCC(C)(C)NC(=O)C(C=O)Cc1cccc2ccccc12
InChIInChI=1S/C18H21NO2/c1-18(2,3)19-17(21)15(12-20)11-14-9-6-8-13-7-4-5-10-16(13)14/h4-10,12,15H,11H2,1-3H3,(H,19,21)
InChIKeyZWDVEWHFCGLLCM-UHFFFAOYSA-N
XLogP3.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-formyl-3-naphthalen-1-ylpropanamide?
The IUPAC name of N-tert-butyl-2-formyl-3-naphthalen-1-ylpropanamide (CID 19592247) is N-tert-butyl-2-formyl-3-naphthalen-1-ylpropanamide.
What is the SMILES notation for N-tert-butyl-2-formyl-3-naphthalen-1-ylpropanamide?
The canonical SMILES for N-tert-butyl-2-formyl-3-naphthalen-1-ylpropanamide is CC(C)(C)NC(=O)C(C=O)Cc1cccc2ccccc12.
What is the InChIKey of N-tert-butyl-2-formyl-3-naphthalen-1-ylpropanamide?
The InChIKey is ZWDVEWHFCGLLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-18(2,3)19-17(21)15(12-20)11-14-9-6-8-13-7-4-5-10-16(13)14/h4-10,12,15H,11H2,1-3H3,(H,19,21).
What are the key properties of N-tert-butyl-2-formyl-3-naphthalen-1-ylpropanamide?
N-tert-butyl-2-formyl-3-naphthalen-1-ylpropanamide has a molecular weight of 283.37 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-formyl-3-naphthalen-1-ylpropanamide is sourced from PubChem (CID 19592247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).