(2S)-N-tert-butyl-2-formyl-3-naphthalen-1-ylpropanamide

C18H21NO2 — CID 18611808

IUPAC(2S)-N-tert-butyl-2-formyl-3-naphthalen-1-ylpropanamide
SMILESCC(C)(C)NC(=O)[C@H](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)/t15-/m0/s1
InChIKeyZWDVEWHFCGLLCM-HNNXBMFYSA-N
MW283.37 g/mol
LogP3.11
Rot. Bonds4

About (2S)-N-tert-butyl-2-formyl-3-naphthalen-1-ylpropanamide

(2S)-N-tert-butyl-2-formyl-3-naphthalen-1-ylpropanamide (PubChem CID 18611808) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is (2S)-N-tert-butyl-2-formyl-3-naphthalen-1-ylpropanamide.

Molecular Properties

Compound Name(2S)-N-tert-butyl-2-formyl-3-naphthalen-1-ylpropanamide
PubChem CID18611808
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name(2S)-N-tert-butyl-2-formyl-3-naphthalen-1-ylpropanamide
SMILESCC(C)(C)NC(=O)[C@H](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)/t15-/m0/s1
InChIKeyZWDVEWHFCGLLCM-HNNXBMFYSA-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 (2S)-N-tert-butyl-2-formyl-3-naphthalen-1-ylpropanamide?
The IUPAC name of (2S)-N-tert-butyl-2-formyl-3-naphthalen-1-ylpropanamide (CID 18611808) is (2S)-N-tert-butyl-2-formyl-3-naphthalen-1-ylpropanamide.
What is the SMILES notation for (2S)-N-tert-butyl-2-formyl-3-naphthalen-1-ylpropanamide?
The canonical SMILES for (2S)-N-tert-butyl-2-formyl-3-naphthalen-1-ylpropanamide is CC(C)(C)NC(=O)[C@H](C=O)Cc1cccc2ccccc12.
What is the InChIKey of (2S)-N-tert-butyl-2-formyl-3-naphthalen-1-ylpropanamide?
The InChIKey is ZWDVEWHFCGLLCM-HNNXBMFYSA-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)/t15-/m0/s1.
What are the key properties of (2S)-N-tert-butyl-2-formyl-3-naphthalen-1-ylpropanamide?
(2S)-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 (2S)-N-tert-butyl-2-formyl-3-naphthalen-1-ylpropanamide is sourced from PubChem (CID 18611808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).