N-[(3R,4S)-4-(2-hydroxyethoxy)non-1-en-3-yl]acetamide

C13H25NO3 — CID 164672104

IUPACN-[(3R,4S)-4-(2-hydroxyethoxy)non-1-en-3-yl]acetamide
SMILESC=C[C@@H](NC(C)=O)[C@H](CCCCC)OCCO
InChIInChI=1S/C13H25NO3/c1-4-6-7-8-13(17-10-9-15)12(5-2)14-11(3)16/h5,12-13,15H,2,4,6-10H2,1,3H3,(H,14,16)/t12-,13+/m1/s1
InChIKeyYTELQRXBUFSUSU-OLZOCXBDSA-N
MW243.35 g/mol
LogP1.63
Rot. Bonds10

About N-[(3R,4S)-4-(2-hydroxyethoxy)non-1-en-3-yl]acetamide

N-[(3R,4S)-4-(2-hydroxyethoxy)non-1-en-3-yl]acetamide (PubChem CID 164672104) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[(3R,4S)-4-(2-hydroxyethoxy)non-1-en-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-(2-hydroxyethoxy)non-1-en-3-yl]acetamide
PubChem CID164672104
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC NameN-[(3R,4S)-4-(2-hydroxyethoxy)non-1-en-3-yl]acetamide
SMILESC=C[C@@H](NC(C)=O)[C@H](CCCCC)OCCO
InChIInChI=1S/C13H25NO3/c1-4-6-7-8-13(17-10-9-15)12(5-2)14-11(3)16/h5,12-13,15H,2,4,6-10H2,1,3H3,(H,14,16)/t12-,13+/m1/s1
InChIKeyYTELQRXBUFSUSU-OLZOCXBDSA-N
XLogP1.63
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Halaminol A acetamide
CID 10858535
2-fluoro-N-[(3R,4S)-4-methoxydec-1-en-3-yl]acetamide
CID 164672156
2-fluoro-N-[(3S,4R)-4-hydroxynon-1-en-3-yl]acetamide
CID 166444522
N-[(3R,4S)-4-prop-2-enoxynon-1-en-3-yl]acetamide
CID 164672103
N-[(2S,3R)-3-hydroxydodec-11-en-2-yl]acetamide
CID 11064558

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-(2-hydroxyethoxy)non-1-en-3-yl]acetamide?
The IUPAC name of N-[(3R,4S)-4-(2-hydroxyethoxy)non-1-en-3-yl]acetamide (CID 164672104) is N-[(3R,4S)-4-(2-hydroxyethoxy)non-1-en-3-yl]acetamide.
What is the SMILES notation for N-[(3R,4S)-4-(2-hydroxyethoxy)non-1-en-3-yl]acetamide?
The canonical SMILES for N-[(3R,4S)-4-(2-hydroxyethoxy)non-1-en-3-yl]acetamide is C=C[C@@H](NC(C)=O)[C@H](CCCCC)OCCO.
What is the InChIKey of N-[(3R,4S)-4-(2-hydroxyethoxy)non-1-en-3-yl]acetamide?
The InChIKey is YTELQRXBUFSUSU-OLZOCXBDSA-N. The full InChI is InChI=1S/C13H25NO3/c1-4-6-7-8-13(17-10-9-15)12(5-2)14-11(3)16/h5,12-13,15H,2,4,6-10H2,1,3H3,(H,14,16)/t12-,13+/m1/s1.
What are the key properties of N-[(3R,4S)-4-(2-hydroxyethoxy)non-1-en-3-yl]acetamide?
N-[(3R,4S)-4-(2-hydroxyethoxy)non-1-en-3-yl]acetamide has a molecular weight of 243.35 g/mol, XLogP of 1.63, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-(2-hydroxyethoxy)non-1-en-3-yl]acetamide is sourced from PubChem (CID 164672104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).