N-ethyl-3-[(2-hydroxy-2-methylpropyl)amino]propanamide

C9H20N2O2 — CID 65106246

IUPACN-ethyl-3-[(2-hydroxy-2-methylpropyl)amino]propanamide
SMILESCCNC(=O)CCNCC(C)(C)O
InChIInChI=1S/C9H20N2O2/c1-4-11-8(12)5-6-10-7-9(2,3)13/h10,13H,4-7H2,1-3H3,(H,11,12)
InChIKeyNHFXHAJKCFHEDS-UHFFFAOYSA-N
MW188.27 g/mol
LogP-0.13
Rot. Bonds6

About N-ethyl-3-[(2-hydroxy-2-methylpropyl)amino]propanamide

N-ethyl-3-[(2-hydroxy-2-methylpropyl)amino]propanamide (PubChem CID 65106246) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is N-ethyl-3-[(2-hydroxy-2-methylpropyl)amino]propanamide.

Molecular Properties

Compound NameN-ethyl-3-[(2-hydroxy-2-methylpropyl)amino]propanamide
PubChem CID65106246
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC NameN-ethyl-3-[(2-hydroxy-2-methylpropyl)amino]propanamide
SMILESCCNC(=O)CCNCC(C)(C)O
InChIInChI=1S/C9H20N2O2/c1-4-11-8(12)5-6-10-7-9(2,3)13/h10,13H,4-7H2,1-3H3,(H,11,12)
InChIKeyNHFXHAJKCFHEDS-UHFFFAOYSA-N
XLogP-0.13
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-3-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]propanamide
CID 103993424
3-[2-[2-[2-[[3-(ethylamino)-3-oxopropyl]amino]ethylamino]ethylamino]ethylamino]-N-methylpropanamide
CID 143379058
6-[[3-(ethylamino)-3-oxopropyl]amino]-4,4-dimethylhexanoic acid
CID 65287716
3-(cyclopropylmethylamino)-N-ethylpropanamide
CID 62324185
2,2-dimethyl-3-[[3-oxo-3-(propylamino)propyl]amino]propanoic acid
CID 79624064
2-(ethylamino)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65106281
3-(2-cyclohexylethylamino)-N-ethylpropanamide
CID 62324401
N-ethyl-3-(6-hydroxyhexylamino)propanamide
CID 107703596
3-[(2-hydroxy-2-methylbutyl)amino]-N-methylpropanamide
CID 65111192
N-[2-(tert-butylamino)-2-oxoethyl]-3-(ethylamino)propanamide
CID 62831395
3-[[2-(hydroxymethyl)-2-methylbutyl]amino]-N-propylpropanamide
CID 81418525
N-(2-hydroxy-2-methylpropyl)-3-propoxypropanamide
CID 65109854

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(2-hydroxy-2-methylpropyl)amino]propanamide?
The IUPAC name of N-ethyl-3-[(2-hydroxy-2-methylpropyl)amino]propanamide (CID 65106246) is N-ethyl-3-[(2-hydroxy-2-methylpropyl)amino]propanamide.
What is the SMILES notation for N-ethyl-3-[(2-hydroxy-2-methylpropyl)amino]propanamide?
The canonical SMILES for N-ethyl-3-[(2-hydroxy-2-methylpropyl)amino]propanamide is CCNC(=O)CCNCC(C)(C)O.
What is the InChIKey of N-ethyl-3-[(2-hydroxy-2-methylpropyl)amino]propanamide?
The InChIKey is NHFXHAJKCFHEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-4-11-8(12)5-6-10-7-9(2,3)13/h10,13H,4-7H2,1-3H3,(H,11,12).
What are the key properties of N-ethyl-3-[(2-hydroxy-2-methylpropyl)amino]propanamide?
N-ethyl-3-[(2-hydroxy-2-methylpropyl)amino]propanamide has a molecular weight of 188.27 g/mol, XLogP of -0.13, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(2-hydroxy-2-methylpropyl)amino]propanamide is sourced from PubChem (CID 65106246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).