N-[(2S)-3-(ethylamino)-2-hydroxypropyl]-2-methoxypropanamide

C9H20N2O3 — CID 90248771

IUPACN-[(2S)-3-(ethylamino)-2-hydroxypropyl]-2-methoxypropanamide
SMILESCCNC[C@H](O)CNC(=O)C(C)OC
InChIInChI=1S/C9H20N2O3/c1-4-10-5-8(12)6-11-9(13)7(2)14-3/h7-8,10,12H,4-6H2,1-3H3,(H,11,13)/t7?,8-/m0/s1
InChIKeyDWGXXBZKCRFVTF-MQWKRIRWSA-N
MW204.27 g/mol
LogP-0.89
Rot. Bonds7

About N-[(2S)-3-(ethylamino)-2-hydroxypropyl]-2-methoxypropanamide

N-[(2S)-3-(ethylamino)-2-hydroxypropyl]-2-methoxypropanamide (PubChem CID 90248771) has the molecular formula C9H20N2O3 and a molecular weight of 204.27 g/mol. Its IUPAC name is N-[(2S)-3-(ethylamino)-2-hydroxypropyl]-2-methoxypropanamide.

Molecular Properties

Compound NameN-[(2S)-3-(ethylamino)-2-hydroxypropyl]-2-methoxypropanamide
PubChem CID90248771
Molecular FormulaC9H20N2O3
Molecular Weight204.27 g/mol
Exact Mass204.15
IUPAC NameN-[(2S)-3-(ethylamino)-2-hydroxypropyl]-2-methoxypropanamide
SMILESCCNC[C@H](O)CNC(=O)C(C)OC
InChIInChI=1S/C9H20N2O3/c1-4-10-5-8(12)6-11-9(13)7(2)14-3/h7-8,10,12H,4-6H2,1-3H3,(H,11,13)/t7?,8-/m0/s1
InChIKeyDWGXXBZKCRFVTF-MQWKRIRWSA-N
XLogP-0.89
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-(ethylamino)-2-hydroxypropyl]-2-methoxypropanamide?
The IUPAC name of N-[(2S)-3-(ethylamino)-2-hydroxypropyl]-2-methoxypropanamide (CID 90248771) is N-[(2S)-3-(ethylamino)-2-hydroxypropyl]-2-methoxypropanamide.
What is the SMILES notation for N-[(2S)-3-(ethylamino)-2-hydroxypropyl]-2-methoxypropanamide?
The canonical SMILES for N-[(2S)-3-(ethylamino)-2-hydroxypropyl]-2-methoxypropanamide is CCNC[C@H](O)CNC(=O)C(C)OC.
What is the InChIKey of N-[(2S)-3-(ethylamino)-2-hydroxypropyl]-2-methoxypropanamide?
The InChIKey is DWGXXBZKCRFVTF-MQWKRIRWSA-N. The full InChI is InChI=1S/C9H20N2O3/c1-4-10-5-8(12)6-11-9(13)7(2)14-3/h7-8,10,12H,4-6H2,1-3H3,(H,11,13)/t7?,8-/m0/s1.
What are the key properties of N-[(2S)-3-(ethylamino)-2-hydroxypropyl]-2-methoxypropanamide?
N-[(2S)-3-(ethylamino)-2-hydroxypropyl]-2-methoxypropanamide has a molecular weight of 204.27 g/mol, XLogP of -0.89, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-(ethylamino)-2-hydroxypropyl]-2-methoxypropanamide is sourced from PubChem (CID 90248771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).