N-(ethylcarbamoyl)-2-(4-hydroxybutan-2-ylsulfanyl)propanamide

C10H20N2O3S — CID 65418371

IUPACN-(ethylcarbamoyl)-2-(4-hydroxybutan-2-ylsulfanyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)SC(C)CCO
InChIInChI=1S/C10H20N2O3S/c1-4-11-10(15)12-9(14)8(3)16-7(2)5-6-13/h7-8,13H,4-6H2,1-3H3,(H2,11,12,14,15)
InChIKeyCQYJJYCHWAWMIA-UHFFFAOYSA-N
MW248.35 g/mol
LogP0.72
Rot. Bonds6

About N-(ethylcarbamoyl)-2-(4-hydroxybutan-2-ylsulfanyl)propanamide

N-(ethylcarbamoyl)-2-(4-hydroxybutan-2-ylsulfanyl)propanamide (PubChem CID 65418371) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is N-(ethylcarbamoyl)-2-(4-hydroxybutan-2-ylsulfanyl)propanamide.

Molecular Properties

Compound NameN-(ethylcarbamoyl)-2-(4-hydroxybutan-2-ylsulfanyl)propanamide
PubChem CID65418371
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC NameN-(ethylcarbamoyl)-2-(4-hydroxybutan-2-ylsulfanyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)SC(C)CCO
InChIInChI=1S/C10H20N2O3S/c1-4-11-10(15)12-9(14)8(3)16-7(2)5-6-13/h7-8,13H,4-6H2,1-3H3,(H2,11,12,14,15)
InChIKeyCQYJJYCHWAWMIA-UHFFFAOYSA-N
XLogP0.72
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(ethylcarbamoyl)-2-(2-hydroxyethylamino)propanamide
CID 43389341
(2R)-2-amino-3-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfanylpropanoic acid
CID 61141983
1-ethyl-3-(1-hydroxy-4-methylpentan-3-yl)urea
CID 103708258
3-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]sulfanylbutanoic acid
CID 66138721
1,3-bis(ethylcarbamoyl)urea
CID 134915369
2-(4-hydroxybutan-2-ylsulfanyl)pentanehydrazide
CID 83047696
3-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]amino]propanoic acid
CID 43466733
N-(ethylcarbamoyl)-2-(3-hydroxybutylamino)propanamide
CID 64913519
N-(ethylcarbamoyl)-2-[(3-hydroxy-2-methylpropyl)amino]propanamide
CID 65036025
2-[(4-chlorophenyl)methylsulfanyl]-N-(ethylcarbamoyl)propanamide
CID 16523768
N-(ethylcarbamoyl)-2-[(1-hydroxy-3-methoxypropan-2-yl)amino]propanamide
CID 106190668
N-(ethylcarbamoyl)-2-(3-hydroxyazetidin-1-yl)propanamide
CID 63282323

Frequently Asked Questions

What is the IUPAC name of N-(ethylcarbamoyl)-2-(4-hydroxybutan-2-ylsulfanyl)propanamide?
The IUPAC name of N-(ethylcarbamoyl)-2-(4-hydroxybutan-2-ylsulfanyl)propanamide (CID 65418371) is N-(ethylcarbamoyl)-2-(4-hydroxybutan-2-ylsulfanyl)propanamide.
What is the SMILES notation for N-(ethylcarbamoyl)-2-(4-hydroxybutan-2-ylsulfanyl)propanamide?
The canonical SMILES for N-(ethylcarbamoyl)-2-(4-hydroxybutan-2-ylsulfanyl)propanamide is CCNC(=O)NC(=O)C(C)SC(C)CCO.
What is the InChIKey of N-(ethylcarbamoyl)-2-(4-hydroxybutan-2-ylsulfanyl)propanamide?
The InChIKey is CQYJJYCHWAWMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-4-11-10(15)12-9(14)8(3)16-7(2)5-6-13/h7-8,13H,4-6H2,1-3H3,(H2,11,12,14,15).
What are the key properties of N-(ethylcarbamoyl)-2-(4-hydroxybutan-2-ylsulfanyl)propanamide?
N-(ethylcarbamoyl)-2-(4-hydroxybutan-2-ylsulfanyl)propanamide has a molecular weight of 248.35 g/mol, XLogP of 0.72, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylcarbamoyl)-2-(4-hydroxybutan-2-ylsulfanyl)propanamide is sourced from PubChem (CID 65418371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).