2-[nonyl(phenylmethoxy)amino]-N-[(3S)-2-oxooxolan-3-yl]acetamide

C22H34N2O4 — CID 53238391

IUPAC2-[nonyl(phenylmethoxy)amino]-N-[(3S)-2-oxooxolan-3-yl]acetamide
SMILESCCCCCCCCCN(CC(=O)N[C@H]1CCOC1=O)OCc1ccccc1
InChIInChI=1S/C22H34N2O4/c1-2-3-4-5-6-7-11-15-24(28-18-19-12-9-8-10-13-19)17-21(25)23-20-14-16-27-22(20)26/h8-10,12-13,20H,2-7,11,14-18H2,1H3,(H,23,25)/t20-/m0/s1
InChIKeyDBDQUPCCSBBEKE-FQEVSTJZSA-N
MW390.52 g/mol
LogP3.60
Rot. Bonds14

About 2-[nonyl(phenylmethoxy)amino]-N-[(3S)-2-oxooxolan-3-yl]acetamide

2-[nonyl(phenylmethoxy)amino]-N-[(3S)-2-oxooxolan-3-yl]acetamide (PubChem CID 53238391) has the molecular formula C22H34N2O4 and a molecular weight of 390.52 g/mol. Its IUPAC name is 2-[nonyl(phenylmethoxy)amino]-N-[(3S)-2-oxooxolan-3-yl]acetamide.

Molecular Properties

Compound Name2-[nonyl(phenylmethoxy)amino]-N-[(3S)-2-oxooxolan-3-yl]acetamide
PubChem CID53238391
Molecular FormulaC22H34N2O4
Molecular Weight390.52 g/mol
Exact Mass390.25
IUPAC Name2-[nonyl(phenylmethoxy)amino]-N-[(3S)-2-oxooxolan-3-yl]acetamide
SMILESCCCCCCCCCN(CC(=O)N[C@H]1CCOC1=O)OCc1ccccc1
InChIInChI=1S/C22H34N2O4/c1-2-3-4-5-6-7-11-15-24(28-18-19-12-9-8-10-13-19)17-21(25)23-20-14-16-27-22(20)26/h8-10,12-13,20H,2-7,11,14-18H2,1H3,(H,23,25)/t20-/m0/s1
InChIKeyDBDQUPCCSBBEKE-FQEVSTJZSA-N
XLogP3.60
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.52
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[nonyl(phenylmethoxy)amino]-N-[(3S)-2-oxooxolan-3-yl]acetamide?
The IUPAC name of 2-[nonyl(phenylmethoxy)amino]-N-[(3S)-2-oxooxolan-3-yl]acetamide (CID 53238391) is 2-[nonyl(phenylmethoxy)amino]-N-[(3S)-2-oxooxolan-3-yl]acetamide.
What is the SMILES notation for 2-[nonyl(phenylmethoxy)amino]-N-[(3S)-2-oxooxolan-3-yl]acetamide?
The canonical SMILES for 2-[nonyl(phenylmethoxy)amino]-N-[(3S)-2-oxooxolan-3-yl]acetamide is CCCCCCCCCN(CC(=O)N[C@H]1CCOC1=O)OCc1ccccc1.
What is the InChIKey of 2-[nonyl(phenylmethoxy)amino]-N-[(3S)-2-oxooxolan-3-yl]acetamide?
The InChIKey is DBDQUPCCSBBEKE-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H34N2O4/c1-2-3-4-5-6-7-11-15-24(28-18-19-12-9-8-10-13-19)17-21(25)23-20-14-16-27-22(20)26/h8-10,12-13,20H,2-7,11,14-18H2,1H3,(H,23,25)/t20-/m0/s1.
What are the key properties of 2-[nonyl(phenylmethoxy)amino]-N-[(3S)-2-oxooxolan-3-yl]acetamide?
2-[nonyl(phenylmethoxy)amino]-N-[(3S)-2-oxooxolan-3-yl]acetamide has a molecular weight of 390.52 g/mol, XLogP of 3.60, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[nonyl(phenylmethoxy)amino]-N-[(3S)-2-oxooxolan-3-yl]acetamide is sourced from PubChem (CID 53238391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).