2-[[(2S)-2-hydroxypropyl]amino]-N-propylacetamide

C8H18N2O2 — CID 106931868

IUPAC2-[[(2S)-2-hydroxypropyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CNC[C@H](C)O
InChIInChI=1S/C8H18N2O2/c1-3-4-10-8(12)6-9-5-7(2)11/h7,9,11H,3-6H2,1-2H3,(H,10,12)/t7-/m0/s1
InChIKeyCDUNPJPVXRZGMB-ZETCQYMHSA-N
MW174.24 g/mol
LogP-0.52
Rot. Bonds6

About 2-[[(2S)-2-hydroxypropyl]amino]-N-propylacetamide

2-[[(2S)-2-hydroxypropyl]amino]-N-propylacetamide (PubChem CID 106931868) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 2-[[(2S)-2-hydroxypropyl]amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[(2S)-2-hydroxypropyl]amino]-N-propylacetamide
PubChem CID106931868
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name2-[[(2S)-2-hydroxypropyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CNC[C@H](C)O
InChIInChI=1S/C8H18N2O2/c1-3-4-10-8(12)6-9-5-7(2)11/h7,9,11H,3-6H2,1-2H3,(H,10,12)/t7-/m0/s1
InChIKeyCDUNPJPVXRZGMB-ZETCQYMHSA-N
XLogP-0.52
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-hydroxy-2-methylbutyl)amino]-N-propylacetamide
CID 66092546
2-(2-hydroxypropylamino)-N-(2-oxoethyl)acetamide
CID 156750692
2-(3-methylbutylamino)-N-propylacetamide
CID 28576469
N-[2-(2-hydroxypropylamino)ethyl]butanamide
CID 104593451
N-hydroxy-2-(2-hydroxypropylamino)acetamide
CID 142100619
1-(2-hydroxypropyl)-3-propylurea
CID 12876542
2-(5-methylhexylamino)-N-propylacetamide
CID 115325791
2-[2-[methyl(propan-2-yl)amino]ethylamino]-N-propylacetamide
CID 62642701
2-(3-methylbutan-2-ylamino)-N-propylacetamide
CID 43086366
3-chloro-2-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 62729229
2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-propylacetamide
CID 54938683
2-chloro-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 43567045

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-hydroxypropyl]amino]-N-propylacetamide?
The IUPAC name of 2-[[(2S)-2-hydroxypropyl]amino]-N-propylacetamide (CID 106931868) is 2-[[(2S)-2-hydroxypropyl]amino]-N-propylacetamide.
What is the SMILES notation for 2-[[(2S)-2-hydroxypropyl]amino]-N-propylacetamide?
The canonical SMILES for 2-[[(2S)-2-hydroxypropyl]amino]-N-propylacetamide is CCCNC(=O)CNC[C@H](C)O.
What is the InChIKey of 2-[[(2S)-2-hydroxypropyl]amino]-N-propylacetamide?
The InChIKey is CDUNPJPVXRZGMB-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-3-4-10-8(12)6-9-5-7(2)11/h7,9,11H,3-6H2,1-2H3,(H,10,12)/t7-/m0/s1.
What are the key properties of 2-[[(2S)-2-hydroxypropyl]amino]-N-propylacetamide?
2-[[(2S)-2-hydroxypropyl]amino]-N-propylacetamide has a molecular weight of 174.24 g/mol, XLogP of -0.52, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-hydroxypropyl]amino]-N-propylacetamide is sourced from PubChem (CID 106931868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).