2-amino-N-[(2S,3R,4S,5S)-4-methoxy-5-methyl-2-non-1-enyloxan-3-yl]acetamide

C18H34N2O3 — CID 57090390

IUPAC2-amino-N-[(2S,3R,4S,5S)-4-methoxy-5-methyl-2-non-1-enyloxan-3-yl]acetamide
SMILESCCCCCCCC=C[C@@H]1OC[C@H](C)[C@H](OC)[C@H]1NC(=O)CN
InChIInChI=1S/C18H34N2O3/c1-4-5-6-7-8-9-10-11-15-17(20-16(21)12-19)18(22-3)14(2)13-23-15/h10-11,14-15,17-18H,4-9,12-13,19H2,1-3H3,(H,20,21)/t14-,15-,17-,18-/m0/s1
InChIKeyCOSOCOCTWPZOSF-LAQRGFTBSA-N
MW326.48 g/mol
LogP2.40
Rot. Bonds10

About 2-amino-N-[(2S,3R,4S,5S)-4-methoxy-5-methyl-2-non-1-enyloxan-3-yl]acetamide

2-amino-N-[(2S,3R,4S,5S)-4-methoxy-5-methyl-2-non-1-enyloxan-3-yl]acetamide (PubChem CID 57090390) has the molecular formula C18H34N2O3 and a molecular weight of 326.48 g/mol. Its IUPAC name is 2-amino-N-[(2S,3R,4S,5S)-4-methoxy-5-methyl-2-non-1-enyloxan-3-yl]acetamide.

Molecular Properties

Compound Name2-amino-N-[(2S,3R,4S,5S)-4-methoxy-5-methyl-2-non-1-enyloxan-3-yl]acetamide
PubChem CID57090390
Molecular FormulaC18H34N2O3
Molecular Weight326.48 g/mol
Exact Mass326.26
IUPAC Name2-amino-N-[(2S,3R,4S,5S)-4-methoxy-5-methyl-2-non-1-enyloxan-3-yl]acetamide
SMILESCCCCCCCC=C[C@@H]1OC[C@H](C)[C@H](OC)[C@H]1NC(=O)CN
InChIInChI=1S/C18H34N2O3/c1-4-5-6-7-8-9-10-11-15-17(20-16(21)12-19)18(22-3)14(2)13-23-15/h10-11,14-15,17-18H,4-9,12-13,19H2,1-3H3,(H,20,21)/t14-,15-,17-,18-/m0/s1
InChIKeyCOSOCOCTWPZOSF-LAQRGFTBSA-N
XLogP2.40
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-amino-N-[(2S,3R,4S,5S)-4-methoxy-5-methyl-2-non-1-enyloxan-3-yl]acetamide?
The IUPAC name of 2-amino-N-[(2S,3R,4S,5S)-4-methoxy-5-methyl-2-non-1-enyloxan-3-yl]acetamide (CID 57090390) is 2-amino-N-[(2S,3R,4S,5S)-4-methoxy-5-methyl-2-non-1-enyloxan-3-yl]acetamide.
What is the SMILES notation for 2-amino-N-[(2S,3R,4S,5S)-4-methoxy-5-methyl-2-non-1-enyloxan-3-yl]acetamide?
The canonical SMILES for 2-amino-N-[(2S,3R,4S,5S)-4-methoxy-5-methyl-2-non-1-enyloxan-3-yl]acetamide is CCCCCCCC=C[C@@H]1OC[C@H](C)[C@H](OC)[C@H]1NC(=O)CN.
What is the InChIKey of 2-amino-N-[(2S,3R,4S,5S)-4-methoxy-5-methyl-2-non-1-enyloxan-3-yl]acetamide?
The InChIKey is COSOCOCTWPZOSF-LAQRGFTBSA-N. The full InChI is InChI=1S/C18H34N2O3/c1-4-5-6-7-8-9-10-11-15-17(20-16(21)12-19)18(22-3)14(2)13-23-15/h10-11,14-15,17-18H,4-9,12-13,19H2,1-3H3,(H,20,21)/t14-,15-,17-,18-/m0/s1.
What are the key properties of 2-amino-N-[(2S,3R,4S,5S)-4-methoxy-5-methyl-2-non-1-enyloxan-3-yl]acetamide?
2-amino-N-[(2S,3R,4S,5S)-4-methoxy-5-methyl-2-non-1-enyloxan-3-yl]acetamide has a molecular weight of 326.48 g/mol, XLogP of 2.40, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2S,3R,4S,5S)-4-methoxy-5-methyl-2-non-1-enyloxan-3-yl]acetamide is sourced from PubChem (CID 57090390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).