(4S)-N-benzyl-4,8-dimethyl-2-oxonon-7-enamide

C18H25NO2 — CID 24776967

IUPAC(4S)-N-benzyl-4,8-dimethyl-2-oxonon-7-enamide
SMILESCC(C)=CCC[C@H](C)CC(=O)C(=O)NCc1ccccc1
InChIInChI=1S/C18H25NO2/c1-14(2)8-7-9-15(3)12-17(20)18(21)19-13-16-10-5-4-6-11-16/h4-6,8,10-11,15H,7,9,12-13H2,1-3H3,(H,19,21)/t15-/m0/s1
InChIKeyNJLUDNSTUAEUHA-HNNXBMFYSA-N
MW287.40 g/mol
LogP3.64
Rot. Bonds8

About (4S)-N-benzyl-4,8-dimethyl-2-oxonon-7-enamide

(4S)-N-benzyl-4,8-dimethyl-2-oxonon-7-enamide (PubChem CID 24776967) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is (4S)-N-benzyl-4,8-dimethyl-2-oxonon-7-enamide.

Molecular Properties

Compound Name(4S)-N-benzyl-4,8-dimethyl-2-oxonon-7-enamide
PubChem CID24776967
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name(4S)-N-benzyl-4,8-dimethyl-2-oxonon-7-enamide
SMILESCC(C)=CCC[C@H](C)CC(=O)C(=O)NCc1ccccc1
InChIInChI=1S/C18H25NO2/c1-14(2)8-7-9-15(3)12-17(20)18(21)19-13-16-10-5-4-6-11-16/h4-6,8,10-11,15H,7,9,12-13H2,1-3H3,(H,19,21)/t15-/m0/s1
InChIKeyNJLUDNSTUAEUHA-HNNXBMFYSA-N
XLogP3.64
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 142994428
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N-benzyl-N'-[(2S)-2-hydroxypropyl]oxamide
CID 6593599
N-benzyl-2-methylprop-2-enamide;hydrazine
CID 157480946
3,7-dimethyloct-6-enyl N-(1-phenylethyl)carbamate
CID 146442229
benzoic acid;N,6-dimethylhept-5-en-2-amine
CID 138630133
benzaldehyde;3,7-dimethyloct-6-enal
CID 87489443
N-benzylcarbamate;trimethylazanium
CID 66870081

Frequently Asked Questions

What is the IUPAC name of (4S)-N-benzyl-4,8-dimethyl-2-oxonon-7-enamide?
The IUPAC name of (4S)-N-benzyl-4,8-dimethyl-2-oxonon-7-enamide (CID 24776967) is (4S)-N-benzyl-4,8-dimethyl-2-oxonon-7-enamide.
What is the SMILES notation for (4S)-N-benzyl-4,8-dimethyl-2-oxonon-7-enamide?
The canonical SMILES for (4S)-N-benzyl-4,8-dimethyl-2-oxonon-7-enamide is CC(C)=CCC[C@H](C)CC(=O)C(=O)NCc1ccccc1.
What is the InChIKey of (4S)-N-benzyl-4,8-dimethyl-2-oxonon-7-enamide?
The InChIKey is NJLUDNSTUAEUHA-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-14(2)8-7-9-15(3)12-17(20)18(21)19-13-16-10-5-4-6-11-16/h4-6,8,10-11,15H,7,9,12-13H2,1-3H3,(H,19,21)/t15-/m0/s1.
What are the key properties of (4S)-N-benzyl-4,8-dimethyl-2-oxonon-7-enamide?
(4S)-N-benzyl-4,8-dimethyl-2-oxonon-7-enamide has a molecular weight of 287.40 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-benzyl-4,8-dimethyl-2-oxonon-7-enamide is sourced from PubChem (CID 24776967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).