N-[(2S,5E)-6,10-dimethyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]undeca-5,9-dien-2-yl]formamide

C21H35NO — CID 132520039

IUPACN-[(2S,5E)-6,10-dimethyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]undeca-5,9-dien-2-yl]formamide
SMILESCC(C)=CCC/C(C)=C/CC[C@](C)(NC=O)[C@@H]1CC=C(C)CC1
InChIInChI=1S/C21H35NO/c1-17(2)8-6-9-18(3)10-7-15-21(5,22-16-23)20-13-11-19(4)12-14-20/h8,10-11,16,20H,6-7,9,12-15H2,1-5H3,(H,22,23)/b18-10+/t20-,21+/m1/s1
InChIKeyDLDZBOBBKSTFIN-KYYLQIHLSA-N
MW317.52 g/mol
LogP5.71
Rot. Bonds9

About N-[(2S,5E)-6,10-dimethyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]undeca-5,9-dien-2-yl]formamide

N-[(2S,5E)-6,10-dimethyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]undeca-5,9-dien-2-yl]formamide (PubChem CID 132520039) has the molecular formula C21H35NO and a molecular weight of 317.52 g/mol. Its IUPAC name is N-[(2S,5E)-6,10-dimethyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]undeca-5,9-dien-2-yl]formamide.

Molecular Properties

Compound NameN-[(2S,5E)-6,10-dimethyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]undeca-5,9-dien-2-yl]formamide
PubChem CID132520039
Molecular FormulaC21H35NO
Molecular Weight317.52 g/mol
Exact Mass317.27
IUPAC NameN-[(2S,5E)-6,10-dimethyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]undeca-5,9-dien-2-yl]formamide
SMILESCC(C)=CCC/C(C)=C/CC[C@](C)(NC=O)[C@@H]1CC=C(C)CC1
InChIInChI=1S/C21H35NO/c1-17(2)8-6-9-18(3)10-7-15-21(5,22-16-23)20-13-11-19(4)12-14-20/h8,10-11,16,20H,6-7,9,12-15H2,1-5H3,(H,22,23)/b18-10+/t20-,21+/m1/s1
InChIKeyDLDZBOBBKSTFIN-KYYLQIHLSA-N
XLogP5.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.52
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,5E)-6,10-dimethyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]undeca-5,9-dien-2-yl]formamide?
The IUPAC name of N-[(2S,5E)-6,10-dimethyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]undeca-5,9-dien-2-yl]formamide (CID 132520039) is N-[(2S,5E)-6,10-dimethyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]undeca-5,9-dien-2-yl]formamide.
What is the SMILES notation for N-[(2S,5E)-6,10-dimethyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]undeca-5,9-dien-2-yl]formamide?
The canonical SMILES for N-[(2S,5E)-6,10-dimethyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]undeca-5,9-dien-2-yl]formamide is CC(C)=CCC/C(C)=C/CC[C@](C)(NC=O)[C@@H]1CC=C(C)CC1.
What is the InChIKey of N-[(2S,5E)-6,10-dimethyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]undeca-5,9-dien-2-yl]formamide?
The InChIKey is DLDZBOBBKSTFIN-KYYLQIHLSA-N. The full InChI is InChI=1S/C21H35NO/c1-17(2)8-6-9-18(3)10-7-15-21(5,22-16-23)20-13-11-19(4)12-14-20/h8,10-11,16,20H,6-7,9,12-15H2,1-5H3,(H,22,23)/b18-10+/t20-,21+/m1/s1.
What are the key properties of N-[(2S,5E)-6,10-dimethyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]undeca-5,9-dien-2-yl]formamide?
N-[(2S,5E)-6,10-dimethyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]undeca-5,9-dien-2-yl]formamide has a molecular weight of 317.52 g/mol, XLogP of 5.71, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,5E)-6,10-dimethyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]undeca-5,9-dien-2-yl]formamide is sourced from PubChem (CID 132520039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).