(2R)-2-ethyl-N-[(4R,5R)-4-ethyl-5-phenylmethoxydec-9-enyl]pent-4-enamide

C26H41NO2 — CID 11315542

IUPAC(2R)-2-ethyl-N-[(4R,5R)-4-ethyl-5-phenylmethoxydec-9-enyl]pent-4-enamide
SMILESC=CCCC[C@@H](OCc1ccccc1)[C@H](CC)CCCNC(=O)[C@H](CC)CC=C
InChIInChI=1S/C26H41NO2/c1-5-9-11-19-25(29-21-22-16-12-10-13-17-22)23(7-3)18-14-20-27-26(28)24(8-4)15-6-2/h5-6,10,12-13,16-17,23-25H,1-2,7-9,11,14-15,18-21H2,3-4H3,(H,27,28)/t23-,24-,25-/m1/s1
InChIKeyJDRJRDHXZRJWFS-UBFVSLLYSA-N
MW399.62 g/mol
LogP6.45
Rot. Bonds17

About (2R)-2-ethyl-N-[(4R,5R)-4-ethyl-5-phenylmethoxydec-9-enyl]pent-4-enamide

(2R)-2-ethyl-N-[(4R,5R)-4-ethyl-5-phenylmethoxydec-9-enyl]pent-4-enamide (PubChem CID 11315542) has the molecular formula C26H41NO2 and a molecular weight of 399.62 g/mol. Its IUPAC name is (2R)-2-ethyl-N-[(4R,5R)-4-ethyl-5-phenylmethoxydec-9-enyl]pent-4-enamide.

Molecular Properties

Compound Name(2R)-2-ethyl-N-[(4R,5R)-4-ethyl-5-phenylmethoxydec-9-enyl]pent-4-enamide
PubChem CID11315542
Molecular FormulaC26H41NO2
Molecular Weight399.62 g/mol
Exact Mass399.31
IUPAC Name(2R)-2-ethyl-N-[(4R,5R)-4-ethyl-5-phenylmethoxydec-9-enyl]pent-4-enamide
SMILESC=CCCC[C@@H](OCc1ccccc1)[C@H](CC)CCCNC(=O)[C@H](CC)CC=C
InChIInChI=1S/C26H41NO2/c1-5-9-11-19-25(29-21-22-16-12-10-13-17-22)23(7-3)18-14-20-27-26(28)24(8-4)15-6-2/h5-6,10,12-13,16-17,23-25H,1-2,7-9,11,14-15,18-21H2,3-4H3,(H,27,28)/t23-,24-,25-/m1/s1
InChIKeyJDRJRDHXZRJWFS-UBFVSLLYSA-N
XLogP6.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.62
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[(4R,5R)-4-ethyl-5-phenylmethoxydec-9-enyl]pent-4-enamide?
The IUPAC name of (2R)-2-ethyl-N-[(4R,5R)-4-ethyl-5-phenylmethoxydec-9-enyl]pent-4-enamide (CID 11315542) is (2R)-2-ethyl-N-[(4R,5R)-4-ethyl-5-phenylmethoxydec-9-enyl]pent-4-enamide.
What is the SMILES notation for (2R)-2-ethyl-N-[(4R,5R)-4-ethyl-5-phenylmethoxydec-9-enyl]pent-4-enamide?
The canonical SMILES for (2R)-2-ethyl-N-[(4R,5R)-4-ethyl-5-phenylmethoxydec-9-enyl]pent-4-enamide is C=CCCC[C@@H](OCc1ccccc1)[C@H](CC)CCCNC(=O)[C@H](CC)CC=C.
What is the InChIKey of (2R)-2-ethyl-N-[(4R,5R)-4-ethyl-5-phenylmethoxydec-9-enyl]pent-4-enamide?
The InChIKey is JDRJRDHXZRJWFS-UBFVSLLYSA-N. The full InChI is InChI=1S/C26H41NO2/c1-5-9-11-19-25(29-21-22-16-12-10-13-17-22)23(7-3)18-14-20-27-26(28)24(8-4)15-6-2/h5-6,10,12-13,16-17,23-25H,1-2,7-9,11,14-15,18-21H2,3-4H3,(H,27,28)/t23-,24-,25-/m1/s1.
What are the key properties of (2R)-2-ethyl-N-[(4R,5R)-4-ethyl-5-phenylmethoxydec-9-enyl]pent-4-enamide?
(2R)-2-ethyl-N-[(4R,5R)-4-ethyl-5-phenylmethoxydec-9-enyl]pent-4-enamide has a molecular weight of 399.62 g/mol, XLogP of 6.45, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethyl-N-[(4R,5R)-4-ethyl-5-phenylmethoxydec-9-enyl]pent-4-enamide is sourced from PubChem (CID 11315542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).