2-(3-hydroxybutylamino)-N-propylpropanamide

C10H22N2O2 — CID 64913708

IUPAC2-(3-hydroxybutylamino)-N-propylpropanamide
SMILESCCCNC(=O)C(C)NCCC(C)O
InChIInChI=1S/C10H22N2O2/c1-4-6-12-10(14)9(3)11-7-5-8(2)13/h8-9,11,13H,4-7H2,1-3H3,(H,12,14)
InChIKeyKPDIXFOGWKQHIA-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.26
Rot. Bonds7

About 2-(3-hydroxybutylamino)-N-propylpropanamide

2-(3-hydroxybutylamino)-N-propylpropanamide (PubChem CID 64913708) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-(3-hydroxybutylamino)-N-propylpropanamide.

Molecular Properties

Compound Name2-(3-hydroxybutylamino)-N-propylpropanamide
PubChem CID64913708
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name2-(3-hydroxybutylamino)-N-propylpropanamide
SMILESCCCNC(=O)C(C)NCCC(C)O
InChIInChI=1S/C10H22N2O2/c1-4-6-12-10(14)9(3)11-7-5-8(2)13/h8-9,11,13H,4-7H2,1-3H3,(H,12,14)
InChIKeyKPDIXFOGWKQHIA-UHFFFAOYSA-N
XLogP0.26
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-hydroxybutylamino)-N-(2-methoxyethyl)propanamide
CID 64913516
N-(ethylcarbamoyl)-2-(3-hydroxybutylamino)propanamide
CID 64913519
2-(pent-3-ynylamino)-N-propylpropanamide
CID 104806535
2-(butylamino)-N-(3-methylbutyl)propanamide
CID 43112967
2-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]propanamide
CID 60659584
N-butyl-2-[(3-hydroxy-4-methoxybutyl)amino]propanamide
CID 106246633
2-(3-methylbutylamino)-N-(2-methylpropyl)propanamide
CID 43086968
tert-butyl N-[2-[[1-oxo-1-(propylamino)propan-2-yl]amino]ethyl]carbamate
CID 112688734
2-[[3-(dimethylamino)-2-hydroxypropyl]amino]-N-propylpropanamide
CID 61477002
2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N-propylpropanamide
CID 54901154
2-hydroxy-4-[[1-oxo-1-(propylamino)propan-2-yl]carbamoylamino]butanoic acid
CID 107838991
2,3-dihydroxy-N,N'-dipropylbutanediamide
CID 13226339

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxybutylamino)-N-propylpropanamide?
The IUPAC name of 2-(3-hydroxybutylamino)-N-propylpropanamide (CID 64913708) is 2-(3-hydroxybutylamino)-N-propylpropanamide.
What is the SMILES notation for 2-(3-hydroxybutylamino)-N-propylpropanamide?
The canonical SMILES for 2-(3-hydroxybutylamino)-N-propylpropanamide is CCCNC(=O)C(C)NCCC(C)O.
What is the InChIKey of 2-(3-hydroxybutylamino)-N-propylpropanamide?
The InChIKey is KPDIXFOGWKQHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-4-6-12-10(14)9(3)11-7-5-8(2)13/h8-9,11,13H,4-7H2,1-3H3,(H,12,14).
What are the key properties of 2-(3-hydroxybutylamino)-N-propylpropanamide?
2-(3-hydroxybutylamino)-N-propylpropanamide has a molecular weight of 202.30 g/mol, XLogP of 0.26, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxybutylamino)-N-propylpropanamide is sourced from PubChem (CID 64913708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).