2-(2-hydroxybutylamino)-N,N-dimethylpropanamide

C9H20N2O2 — CID 61464462

IUPAC2-(2-hydroxybutylamino)-N,N-dimethylpropanamide
SMILESCCC(O)CNC(C)C(=O)N(C)C
InChIInChI=1S/C9H20N2O2/c1-5-8(12)6-10-7(2)9(13)11(3)4/h7-8,10,12H,5-6H2,1-4H3
InChIKeyHGUSIULSYHWIJU-UHFFFAOYSA-N
MW188.27 g/mol
LogP-0.18
Rot. Bonds5

About 2-(2-hydroxybutylamino)-N,N-dimethylpropanamide

2-(2-hydroxybutylamino)-N,N-dimethylpropanamide (PubChem CID 61464462) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-(2-hydroxybutylamino)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-(2-hydroxybutylamino)-N,N-dimethylpropanamide
PubChem CID61464462
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name2-(2-hydroxybutylamino)-N,N-dimethylpropanamide
SMILESCCC(O)CNC(C)C(=O)N(C)C
InChIInChI=1S/C9H20N2O2/c1-5-8(12)6-10-7(2)9(13)11(3)4/h7-8,10,12H,5-6H2,1-4H3
InChIKeyHGUSIULSYHWIJU-UHFFFAOYSA-N
XLogP-0.18
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(diethylamino)-2-hydroxypropyl]amino]-N,N-dimethylpropanamide
CID 54950828
3-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-2-hydroxypropanamide
CID 106174475
N,N-dimethyl-2-(propylamino)propanamide
CID 43086179
2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]-N,N-dimethylpropanamide
CID 54950826
3-[(2S)-2-hydroxybutyl]-1,1-dimethylurea
CID 131222710
(2S)-2-(2-hydroxyethylamino)-N,N-dimethylpropanamide
CID 86625703
2-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]-N,N-dimethylpropanamide
CID 61464733
2-[[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]amino]-N,N-dimethylpropanamide
CID 61464816
2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N,N-dimethylpropanamide
CID 54900963
ethyl 2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]acetate
CID 60811101
2-(ethylamino)-N,N,3-trimethylbutanamide
CID 143168828
3-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-2-phenylpropanoic acid
CID 64559399

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxybutylamino)-N,N-dimethylpropanamide?
The IUPAC name of 2-(2-hydroxybutylamino)-N,N-dimethylpropanamide (CID 61464462) is 2-(2-hydroxybutylamino)-N,N-dimethylpropanamide.
What is the SMILES notation for 2-(2-hydroxybutylamino)-N,N-dimethylpropanamide?
The canonical SMILES for 2-(2-hydroxybutylamino)-N,N-dimethylpropanamide is CCC(O)CNC(C)C(=O)N(C)C.
What is the InChIKey of 2-(2-hydroxybutylamino)-N,N-dimethylpropanamide?
The InChIKey is HGUSIULSYHWIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-5-8(12)6-10-7(2)9(13)11(3)4/h7-8,10,12H,5-6H2,1-4H3.
What are the key properties of 2-(2-hydroxybutylamino)-N,N-dimethylpropanamide?
2-(2-hydroxybutylamino)-N,N-dimethylpropanamide has a molecular weight of 188.27 g/mol, XLogP of -0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxybutylamino)-N,N-dimethylpropanamide is sourced from PubChem (CID 61464462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).