(2R)-2-ethyl-N-[(4S)-4-ethyloct-7-enyl]-6-methylhept-6-enamide

C20H37NO — CID 163319716

IUPAC(2R)-2-ethyl-N-[(4S)-4-ethyloct-7-enyl]-6-methylhept-6-enamide
SMILESC=CCCC(CC)CCCNC(=O)C(CC)CCCC(=C)C
InChIInChI=1S/C20H37NO/c1-6-9-13-18(7-2)14-11-16-21-20(22)19(8-3)15-10-12-17(4)5/h6,18-19H,1,4,7-16H2,2-3,5H3,(H,21,22)
InChIKeyURRDGDLYFJGJRW-UHFFFAOYSA-N
MW307.52 g/mol
LogP5.65
Rot. Bonds14

About (2R)-2-ethyl-N-[(4S)-4-ethyloct-7-enyl]-6-methylhept-6-enamide

(2R)-2-ethyl-N-[(4S)-4-ethyloct-7-enyl]-6-methylhept-6-enamide (PubChem CID 163319716) has the molecular formula C20H37NO and a molecular weight of 307.52 g/mol. Its IUPAC name is (2R)-2-ethyl-N-[(4S)-4-ethyloct-7-enyl]-6-methylhept-6-enamide.

Molecular Properties

Compound Name(2R)-2-ethyl-N-[(4S)-4-ethyloct-7-enyl]-6-methylhept-6-enamide
PubChem CID163319716
Molecular FormulaC20H37NO
Molecular Weight307.52 g/mol
Exact Mass307.29
IUPAC Name(2R)-2-ethyl-N-[(4S)-4-ethyloct-7-enyl]-6-methylhept-6-enamide
SMILESC=CCCC(CC)CCCNC(=O)C(CC)CCCC(=C)C
InChIInChI=1S/C20H37NO/c1-6-9-13-18(7-2)14-11-16-21-20(22)19(8-3)15-10-12-17(4)5/h6,18-19H,1,4,7-16H2,2-3,5H3,(H,21,22)
InChIKeyURRDGDLYFJGJRW-UHFFFAOYSA-N
XLogP5.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.52
LogP ≤ 55.65
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 (2R)-2-ethyl-N-[(4S)-4-ethyloct-7-enyl]-6-methylhept-6-enamide?
The IUPAC name of (2R)-2-ethyl-N-[(4S)-4-ethyloct-7-enyl]-6-methylhept-6-enamide (CID 163319716) is (2R)-2-ethyl-N-[(4S)-4-ethyloct-7-enyl]-6-methylhept-6-enamide.
What is the SMILES notation for (2R)-2-ethyl-N-[(4S)-4-ethyloct-7-enyl]-6-methylhept-6-enamide?
The canonical SMILES for (2R)-2-ethyl-N-[(4S)-4-ethyloct-7-enyl]-6-methylhept-6-enamide is C=CCCC(CC)CCCNC(=O)C(CC)CCCC(=C)C.
What is the InChIKey of (2R)-2-ethyl-N-[(4S)-4-ethyloct-7-enyl]-6-methylhept-6-enamide?
The InChIKey is URRDGDLYFJGJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37NO/c1-6-9-13-18(7-2)14-11-16-21-20(22)19(8-3)15-10-12-17(4)5/h6,18-19H,1,4,7-16H2,2-3,5H3,(H,21,22).
What are the key properties of (2R)-2-ethyl-N-[(4S)-4-ethyloct-7-enyl]-6-methylhept-6-enamide?
(2R)-2-ethyl-N-[(4S)-4-ethyloct-7-enyl]-6-methylhept-6-enamide has a molecular weight of 307.52 g/mol, XLogP of 5.65, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethyl-N-[(4S)-4-ethyloct-7-enyl]-6-methylhept-6-enamide is sourced from PubChem (CID 163319716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).