(2S)-2-methoxy-N-[(1-propylcyclobutyl)methyl]propanamide

C12H23NO2 — CID 97027349

IUPAC(2S)-2-methoxy-N-[(1-propylcyclobutyl)methyl]propanamide
SMILESCCCC1(CNC(=O)[C@H](C)OC)CCC1
InChIInChI=1S/C12H23NO2/c1-4-6-12(7-5-8-12)9-13-11(14)10(2)15-3/h10H,4-9H2,1-3H3,(H,13,14)/t10-/m0/s1
InChIKeyOUDIYOULXWPCHA-JTQLQIEISA-N
MW213.32 g/mol
LogP2.11
Rot. Bonds6

About (2S)-2-methoxy-N-[(1-propylcyclobutyl)methyl]propanamide

(2S)-2-methoxy-N-[(1-propylcyclobutyl)methyl]propanamide (PubChem CID 97027349) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is (2S)-2-methoxy-N-[(1-propylcyclobutyl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-methoxy-N-[(1-propylcyclobutyl)methyl]propanamide
PubChem CID97027349
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name(2S)-2-methoxy-N-[(1-propylcyclobutyl)methyl]propanamide
SMILESCCCC1(CNC(=O)[C@H](C)OC)CCC1
InChIInChI=1S/C12H23NO2/c1-4-6-12(7-5-8-12)9-13-11(14)10(2)15-3/h10H,4-9H2,1-3H3,(H,13,14)/t10-/m0/s1
InChIKeyOUDIYOULXWPCHA-JTQLQIEISA-N
XLogP2.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methoxy-N-[(1-propylcyclobutyl)methyl]propanamide?
The IUPAC name of (2S)-2-methoxy-N-[(1-propylcyclobutyl)methyl]propanamide (CID 97027349) is (2S)-2-methoxy-N-[(1-propylcyclobutyl)methyl]propanamide.
What is the SMILES notation for (2S)-2-methoxy-N-[(1-propylcyclobutyl)methyl]propanamide?
The canonical SMILES for (2S)-2-methoxy-N-[(1-propylcyclobutyl)methyl]propanamide is CCCC1(CNC(=O)[C@H](C)OC)CCC1.
What is the InChIKey of (2S)-2-methoxy-N-[(1-propylcyclobutyl)methyl]propanamide?
The InChIKey is OUDIYOULXWPCHA-JTQLQIEISA-N. The full InChI is InChI=1S/C12H23NO2/c1-4-6-12(7-5-8-12)9-13-11(14)10(2)15-3/h10H,4-9H2,1-3H3,(H,13,14)/t10-/m0/s1.
What are the key properties of (2S)-2-methoxy-N-[(1-propylcyclobutyl)methyl]propanamide?
(2S)-2-methoxy-N-[(1-propylcyclobutyl)methyl]propanamide has a molecular weight of 213.32 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methoxy-N-[(1-propylcyclobutyl)methyl]propanamide is sourced from PubChem (CID 97027349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).