2-(3-methylbutan-2-ylamino)-N-propylacetamide

C10H22N2O — CID 43086366

IUPAC2-(3-methylbutan-2-ylamino)-N-propylacetamide
SMILESCCCNC(=O)CNC(C)C(C)C
InChIInChI=1S/C10H22N2O/c1-5-6-11-10(13)7-12-9(4)8(2)3/h8-9,12H,5-7H2,1-4H3,(H,11,13)
InChIKeyYAECSNNGDJZMFV-UHFFFAOYSA-N
MW186.30 g/mol
LogP1.15
Rot. Bonds6

About 2-(3-methylbutan-2-ylamino)-N-propylacetamide

2-(3-methylbutan-2-ylamino)-N-propylacetamide (PubChem CID 43086366) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 2-(3-methylbutan-2-ylamino)-N-propylacetamide.

Molecular Properties

Compound Name2-(3-methylbutan-2-ylamino)-N-propylacetamide
PubChem CID43086366
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name2-(3-methylbutan-2-ylamino)-N-propylacetamide
SMILESCCCNC(=O)CNC(C)C(C)C
InChIInChI=1S/C10H22N2O/c1-5-6-11-10(13)7-12-9(4)8(2)3/h8-9,12H,5-7H2,1-4H3,(H,11,13)
InChIKeyYAECSNNGDJZMFV-UHFFFAOYSA-N
XLogP1.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-N-propylacetamide
CID 79250505
3,4-dimethyl-N-propylpentanamide
CID 89425193
2-(1-cyanopropan-2-ylamino)-N-propylacetamide
CID 60913977
2-(1-methoxypropan-2-ylamino)-N-propylacetamide
CID 43179596
2-bromo-3-methyl-N-[2-oxo-2-(propylamino)ethyl]butanamide
CID 43567046
3-(3-methylbutan-2-ylcarbamoylamino)-N-propylpropanamide
CID 60547146
2-[[(2S)-butan-2-yl]amino]-N-[2-[[2-[[(2R)-butan-2-yl]amino]acetyl]amino]ethyl]acetamide
CID 26058062
2-[[(1R)-1-cycloheptylethyl]amino]-N-propylacetamide
CID 81393570
N-propyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide
CID 61473889
2-chloro-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 43567045
2-(3-methylbutylamino)-N-propylacetamide
CID 28576469
2-[[(2S)-2-hydroxypropyl]amino]-N-propylacetamide
CID 106931868

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutan-2-ylamino)-N-propylacetamide?
The IUPAC name of 2-(3-methylbutan-2-ylamino)-N-propylacetamide (CID 43086366) is 2-(3-methylbutan-2-ylamino)-N-propylacetamide.
What is the SMILES notation for 2-(3-methylbutan-2-ylamino)-N-propylacetamide?
The canonical SMILES for 2-(3-methylbutan-2-ylamino)-N-propylacetamide is CCCNC(=O)CNC(C)C(C)C.
What is the InChIKey of 2-(3-methylbutan-2-ylamino)-N-propylacetamide?
The InChIKey is YAECSNNGDJZMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-5-6-11-10(13)7-12-9(4)8(2)3/h8-9,12H,5-7H2,1-4H3,(H,11,13).
What are the key properties of 2-(3-methylbutan-2-ylamino)-N-propylacetamide?
2-(3-methylbutan-2-ylamino)-N-propylacetamide has a molecular weight of 186.30 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutan-2-ylamino)-N-propylacetamide is sourced from PubChem (CID 43086366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).