N-ethyl-2-(4-hydroxybutan-2-ylamino)propanamide

C9H20N2O2 — CID 83177660

IUPACN-ethyl-2-(4-hydroxybutan-2-ylamino)propanamide
SMILESCCNC(=O)C(C)NC(C)CCO
InChIInChI=1S/C9H20N2O2/c1-4-10-9(13)8(3)11-7(2)5-6-12/h7-8,11-12H,4-6H2,1-3H3,(H,10,13)
InChIKeyHJRJLFYOTHKYMY-UHFFFAOYSA-N
MW188.27 g/mol
LogP-0.13
Rot. Bonds6

About N-ethyl-2-(4-hydroxybutan-2-ylamino)propanamide

N-ethyl-2-(4-hydroxybutan-2-ylamino)propanamide (PubChem CID 83177660) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is N-ethyl-2-(4-hydroxybutan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-ethyl-2-(4-hydroxybutan-2-ylamino)propanamide
PubChem CID83177660
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC NameN-ethyl-2-(4-hydroxybutan-2-ylamino)propanamide
SMILESCCNC(=O)C(C)NC(C)CCO
InChIInChI=1S/C9H20N2O2/c1-4-10-9(13)8(3)11-7(2)5-6-12/h7-8,11-12H,4-6H2,1-3H3,(H,10,13)
InChIKeyHJRJLFYOTHKYMY-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

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Related Compounds

2-(4-hydroxybutan-2-ylamino)-N-(2-methylbutan-2-yl)propanamide
CID 83176935
2-[[1-(butylamino)-1-oxopropan-2-yl]amino]-N-ethylpropanamide
CID 60722434
N-(2-methylpropyl)-2-(pentan-2-ylamino)propanamide
CID 43087379
N-ethyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanamide
CID 61473966
N-ethyl-2,4-dihydroxybutanamide
CID 54530435
N-butyl-2-(heptan-2-ylamino)propanamide
CID 54950626
N-ethyl-2-(3-hydroxypropylamino)propanamide
CID 43392791
2-(octan-2-ylamino)-N-pentylpropanamide
CID 61476673
N-ethyl-2-[[2-(ethylamino)-2-oxoethyl]amino]propanamide
CID 43401396
(3S)-3-(butan-2-ylamino)butan-1-ol
CID 131065371
N-(3-methylbutyl)-2-(octan-2-ylamino)propanamide
CID 61476708
methyl 3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-2-methylbutanoate
CID 79391217

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-hydroxybutan-2-ylamino)propanamide?
The IUPAC name of N-ethyl-2-(4-hydroxybutan-2-ylamino)propanamide (CID 83177660) is N-ethyl-2-(4-hydroxybutan-2-ylamino)propanamide.
What is the SMILES notation for N-ethyl-2-(4-hydroxybutan-2-ylamino)propanamide?
The canonical SMILES for N-ethyl-2-(4-hydroxybutan-2-ylamino)propanamide is CCNC(=O)C(C)NC(C)CCO.
What is the InChIKey of N-ethyl-2-(4-hydroxybutan-2-ylamino)propanamide?
The InChIKey is HJRJLFYOTHKYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-4-10-9(13)8(3)11-7(2)5-6-12/h7-8,11-12H,4-6H2,1-3H3,(H,10,13).
What are the key properties of N-ethyl-2-(4-hydroxybutan-2-ylamino)propanamide?
N-ethyl-2-(4-hydroxybutan-2-ylamino)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-2-(4-hydroxybutan-2-ylamino)propanamide is sourced from PubChem (CID 83177660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).