N-[(2R)-heptan-2-yl]-3-methoxypropanamide

C11H23NO2 — CID 166437538

IUPACN-[(2R)-heptan-2-yl]-3-methoxypropanamide
SMILESCCCCC[C@@H](C)NC(=O)CCOC
InChIInChI=1S/C11H23NO2/c1-4-5-6-7-10(2)12-11(13)8-9-14-3/h10H,4-9H2,1-3H3,(H,12,13)/t10-/m1/s1
InChIKeyMJPMCBBRENGEEX-SNVBAGLBSA-N
MW201.31 g/mol
LogP2.11
Rot. Bonds8

About N-[(2R)-heptan-2-yl]-3-methoxypropanamide

N-[(2R)-heptan-2-yl]-3-methoxypropanamide (PubChem CID 166437538) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is N-[(2R)-heptan-2-yl]-3-methoxypropanamide.

Molecular Properties

Compound NameN-[(2R)-heptan-2-yl]-3-methoxypropanamide
PubChem CID166437538
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC NameN-[(2R)-heptan-2-yl]-3-methoxypropanamide
SMILESCCCCC[C@@H](C)NC(=O)CCOC
InChIInChI=1S/C11H23NO2/c1-4-5-6-7-10(2)12-11(13)8-9-14-3/h10H,4-9H2,1-3H3,(H,12,13)/t10-/m1/s1
InChIKeyMJPMCBBRENGEEX-SNVBAGLBSA-N
XLogP2.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-heptan-2-yl]-3-methoxypropanamide?
The IUPAC name of N-[(2R)-heptan-2-yl]-3-methoxypropanamide (CID 166437538) is N-[(2R)-heptan-2-yl]-3-methoxypropanamide.
What is the SMILES notation for N-[(2R)-heptan-2-yl]-3-methoxypropanamide?
The canonical SMILES for N-[(2R)-heptan-2-yl]-3-methoxypropanamide is CCCCC[C@@H](C)NC(=O)CCOC.
What is the InChIKey of N-[(2R)-heptan-2-yl]-3-methoxypropanamide?
The InChIKey is MJPMCBBRENGEEX-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H23NO2/c1-4-5-6-7-10(2)12-11(13)8-9-14-3/h10H,4-9H2,1-3H3,(H,12,13)/t10-/m1/s1.
What are the key properties of N-[(2R)-heptan-2-yl]-3-methoxypropanamide?
N-[(2R)-heptan-2-yl]-3-methoxypropanamide has a molecular weight of 201.31 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-heptan-2-yl]-3-methoxypropanamide is sourced from PubChem (CID 166437538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).