(2S,3S)-N-butyl-2,3-dimethylpent-4-enamide

C11H21NO — CID 134905336

IUPAC(2S,3S)-N-butyl-2,3-dimethylpent-4-enamide
SMILESC=C[C@H](C)[C@H](C)C(=O)NCCCC
InChIInChI=1S/C11H21NO/c1-5-7-8-12-11(13)10(4)9(3)6-2/h6,9-10H,2,5,7-8H2,1,3-4H3,(H,12,13)/t9-,10-/m0/s1
InChIKeyFSCRMXIFZBLHHZ-UWVGGRQHSA-N
MW183.29 g/mol
LogP2.36
Rot. Bonds6

About (2S,3S)-N-butyl-2,3-dimethylpent-4-enamide

(2S,3S)-N-butyl-2,3-dimethylpent-4-enamide (PubChem CID 134905336) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (2S,3S)-N-butyl-2,3-dimethylpent-4-enamide.

Molecular Properties

Compound Name(2S,3S)-N-butyl-2,3-dimethylpent-4-enamide
PubChem CID134905336
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(2S,3S)-N-butyl-2,3-dimethylpent-4-enamide
SMILESC=C[C@H](C)[C@H](C)C(=O)NCCCC
InChIInChI=1S/C11H21NO/c1-5-7-8-12-11(13)10(4)9(3)6-2/h6,9-10H,2,5,7-8H2,1,3-4H3,(H,12,13)/t9-,10-/m0/s1
InChIKeyFSCRMXIFZBLHHZ-UWVGGRQHSA-N
XLogP2.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-butyl-2,3-dimethylpent-4-enamide?
The IUPAC name of (2S,3S)-N-butyl-2,3-dimethylpent-4-enamide (CID 134905336) is (2S,3S)-N-butyl-2,3-dimethylpent-4-enamide.
What is the SMILES notation for (2S,3S)-N-butyl-2,3-dimethylpent-4-enamide?
The canonical SMILES for (2S,3S)-N-butyl-2,3-dimethylpent-4-enamide is C=C[C@H](C)[C@H](C)C(=O)NCCCC.
What is the InChIKey of (2S,3S)-N-butyl-2,3-dimethylpent-4-enamide?
The InChIKey is FSCRMXIFZBLHHZ-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H21NO/c1-5-7-8-12-11(13)10(4)9(3)6-2/h6,9-10H,2,5,7-8H2,1,3-4H3,(H,12,13)/t9-,10-/m0/s1.
What are the key properties of (2S,3S)-N-butyl-2,3-dimethylpent-4-enamide?
(2S,3S)-N-butyl-2,3-dimethylpent-4-enamide has a molecular weight of 183.29 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-butyl-2,3-dimethylpent-4-enamide is sourced from PubChem (CID 134905336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).