N-(4-hydroxybutan-2-yl)-2-(propan-2-ylamino)acetamide

C9H20N2O2 — CID 83176839

IUPACN-(4-hydroxybutan-2-yl)-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)NC(C)CCO
InChIInChI=1S/C9H20N2O2/c1-7(2)10-6-9(13)11-8(3)4-5-12/h7-8,10,12H,4-6H2,1-3H3,(H,11,13)
InChIKeyVFLVSZCUICRNGN-UHFFFAOYSA-N
MW188.27 g/mol
LogP-0.13
Rot. Bonds6

About N-(4-hydroxybutan-2-yl)-2-(propan-2-ylamino)acetamide

N-(4-hydroxybutan-2-yl)-2-(propan-2-ylamino)acetamide (PubChem CID 83176839) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is N-(4-hydroxybutan-2-yl)-2-(propan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-(4-hydroxybutan-2-yl)-2-(propan-2-ylamino)acetamide
PubChem CID83176839
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC NameN-(4-hydroxybutan-2-yl)-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)NC(C)CCO
InChIInChI=1S/C9H20N2O2/c1-7(2)10-6-9(13)11-8(3)4-5-12/h7-8,10,12H,4-6H2,1-3H3,(H,11,13)
InChIKeyVFLVSZCUICRNGN-UHFFFAOYSA-N
XLogP-0.13
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutan-2-yl)-2-(propan-2-ylamino)acetamide?
The IUPAC name of N-(4-hydroxybutan-2-yl)-2-(propan-2-ylamino)acetamide (CID 83176839) is N-(4-hydroxybutan-2-yl)-2-(propan-2-ylamino)acetamide.
What is the SMILES notation for N-(4-hydroxybutan-2-yl)-2-(propan-2-ylamino)acetamide?
The canonical SMILES for N-(4-hydroxybutan-2-yl)-2-(propan-2-ylamino)acetamide is CC(C)NCC(=O)NC(C)CCO.
What is the InChIKey of N-(4-hydroxybutan-2-yl)-2-(propan-2-ylamino)acetamide?
The InChIKey is VFLVSZCUICRNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-7(2)10-6-9(13)11-8(3)4-5-12/h7-8,10,12H,4-6H2,1-3H3,(H,11,13).
What are the key properties of N-(4-hydroxybutan-2-yl)-2-(propan-2-ylamino)acetamide?
N-(4-hydroxybutan-2-yl)-2-(propan-2-ylamino)acetamide has a molecular weight of 188.27 g/mol, XLogP of -0.13, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybutan-2-yl)-2-(propan-2-ylamino)acetamide is sourced from PubChem (CID 83176839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).