N-ethyl-N-[(2S)-2-methoxypropyl]propanamide

C9H19NO2 — CID 172573690

IUPACN-ethyl-N-[(2S)-2-methoxypropyl]propanamide
SMILESCCC(=O)N(CC)C[C@H](C)OC
InChIInChI=1S/C9H19NO2/c1-5-9(11)10(6-2)7-8(3)12-4/h8H,5-7H2,1-4H3/t8-/m0/s1
InChIKeyFWHSCVPLXKWLHS-QMMMGPOBSA-N
MW173.26 g/mol
LogP1.28
Rot. Bonds5

About N-ethyl-N-[(2S)-2-methoxypropyl]propanamide

N-ethyl-N-[(2S)-2-methoxypropyl]propanamide (PubChem CID 172573690) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is N-ethyl-N-[(2S)-2-methoxypropyl]propanamide.

Molecular Properties

Compound NameN-ethyl-N-[(2S)-2-methoxypropyl]propanamide
PubChem CID172573690
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC NameN-ethyl-N-[(2S)-2-methoxypropyl]propanamide
SMILESCCC(=O)N(CC)C[C@H](C)OC
InChIInChI=1S/C9H19NO2/c1-5-9(11)10(6-2)7-8(3)12-4/h8H,5-7H2,1-4H3/t8-/m0/s1
InChIKeyFWHSCVPLXKWLHS-QMMMGPOBSA-N
XLogP1.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(2S)-2-methoxypropyl]propanamide?
The IUPAC name of N-ethyl-N-[(2S)-2-methoxypropyl]propanamide (CID 172573690) is N-ethyl-N-[(2S)-2-methoxypropyl]propanamide.
What is the SMILES notation for N-ethyl-N-[(2S)-2-methoxypropyl]propanamide?
The canonical SMILES for N-ethyl-N-[(2S)-2-methoxypropyl]propanamide is CCC(=O)N(CC)C[C@H](C)OC.
What is the InChIKey of N-ethyl-N-[(2S)-2-methoxypropyl]propanamide?
The InChIKey is FWHSCVPLXKWLHS-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H19NO2/c1-5-9(11)10(6-2)7-8(3)12-4/h8H,5-7H2,1-4H3/t8-/m0/s1.
What are the key properties of N-ethyl-N-[(2S)-2-methoxypropyl]propanamide?
N-ethyl-N-[(2S)-2-methoxypropyl]propanamide has a molecular weight of 173.26 g/mol, XLogP of 1.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(2S)-2-methoxypropyl]propanamide is sourced from PubChem (CID 172573690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).