N-[(1R,2R)-2-ethoxy-1-methoxyoctyl]-2-methylpropanamide

C15H31NO3 — CID 101454212

IUPACN-[(1R,2R)-2-ethoxy-1-methoxyoctyl]-2-methylpropanamide
SMILESCCCCCC[C@@H](OCC)[C@H](NC(=O)C(C)C)OC
InChIInChI=1S/C15H31NO3/c1-6-8-9-10-11-13(19-7-2)15(18-5)16-14(17)12(3)4/h12-13,15H,6-11H2,1-5H3,(H,16,17)/t13-,15-/m1/s1
InChIKeyFHQCXNRLDPPCTR-UKRRQHHQSA-N
MW273.42 g/mol
LogP3.11
Rot. Bonds11

About N-[(1R,2R)-2-ethoxy-1-methoxyoctyl]-2-methylpropanamide

N-[(1R,2R)-2-ethoxy-1-methoxyoctyl]-2-methylpropanamide (PubChem CID 101454212) has the molecular formula C15H31NO3 and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[(1R,2R)-2-ethoxy-1-methoxyoctyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-ethoxy-1-methoxyoctyl]-2-methylpropanamide
PubChem CID101454212
Molecular FormulaC15H31NO3
Molecular Weight273.42 g/mol
Exact Mass273.23
IUPAC NameN-[(1R,2R)-2-ethoxy-1-methoxyoctyl]-2-methylpropanamide
SMILESCCCCCC[C@@H](OCC)[C@H](NC(=O)C(C)C)OC
InChIInChI=1S/C15H31NO3/c1-6-8-9-10-11-13(19-7-2)15(18-5)16-14(17)12(3)4/h12-13,15H,6-11H2,1-5H3,(H,16,17)/t13-,15-/m1/s1
InChIKeyFHQCXNRLDPPCTR-UKRRQHHQSA-N
XLogP3.11
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-3-methoxynonane
CID 175129428
3-ethoxy-2-methyldodecane
CID 78302637
2-methyl-N-(2-methyl-3-oxodecan-4-yl)propanamide
CID 90165359
6-O-(10-ethoxy-1-methoxy-1-oxooctadecan-9-yl) 1-O-(10-ethoxy-18-methoxy-18-oxooctadecan-9-yl) hexanedioate
CID 166582236
3-methoxynonanoic acid
CID 139673009
2-methoxynonane-1,1-diol
CID 175114695
ethyl (2R,3S,4R)-2-(hexadecanoylamino)-3-hydroxy-4-(methoxymethoxy)octadecanoate
CID 10556130
ethyl (2R,3S,4S)-2-(hexadecanoylamino)-3-hydroxy-4-(methoxymethoxy)octadecanoate
CID 10580001
methyl (2R)-2-methyltetradecanoate
CID 163045577
methyl (2R)-2-methylnonanoate
CID 12525305
methyl (2S)-2-methylnonanoate
CID 12525304
9-ethoxyoctadecane
CID 87148376

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-ethoxy-1-methoxyoctyl]-2-methylpropanamide?
The IUPAC name of N-[(1R,2R)-2-ethoxy-1-methoxyoctyl]-2-methylpropanamide (CID 101454212) is N-[(1R,2R)-2-ethoxy-1-methoxyoctyl]-2-methylpropanamide.
What is the SMILES notation for N-[(1R,2R)-2-ethoxy-1-methoxyoctyl]-2-methylpropanamide?
The canonical SMILES for N-[(1R,2R)-2-ethoxy-1-methoxyoctyl]-2-methylpropanamide is CCCCCC[C@@H](OCC)[C@H](NC(=O)C(C)C)OC.
What is the InChIKey of N-[(1R,2R)-2-ethoxy-1-methoxyoctyl]-2-methylpropanamide?
The InChIKey is FHQCXNRLDPPCTR-UKRRQHHQSA-N. The full InChI is InChI=1S/C15H31NO3/c1-6-8-9-10-11-13(19-7-2)15(18-5)16-14(17)12(3)4/h12-13,15H,6-11H2,1-5H3,(H,16,17)/t13-,15-/m1/s1.
What are the key properties of N-[(1R,2R)-2-ethoxy-1-methoxyoctyl]-2-methylpropanamide?
N-[(1R,2R)-2-ethoxy-1-methoxyoctyl]-2-methylpropanamide has a molecular weight of 273.42 g/mol, XLogP of 3.11, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-ethoxy-1-methoxyoctyl]-2-methylpropanamide is sourced from PubChem (CID 101454212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).