N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylpropanamide

C8H17NO4 — CID 22140528

IUPACN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(CO)(CO)CO
InChIInChI=1S/C8H17NO4/c1-6(2)7(13)9-8(3-10,4-11)5-12/h6,10-12H,3-5H2,1-2H3,(H,9,13)
InChIKeyPDMRBQJBCBURGY-UHFFFAOYSA-N
MW191.23 g/mol
LogP-1.53
Rot. Bonds5

About N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylpropanamide

N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylpropanamide (PubChem CID 22140528) has the molecular formula C8H17NO4 and a molecular weight of 191.23 g/mol. Its IUPAC name is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylpropanamide
PubChem CID22140528
Molecular FormulaC8H17NO4
Molecular Weight191.23 g/mol
Exact Mass191.12
IUPAC NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(CO)(CO)CO
InChIInChI=1S/C8H17NO4/c1-6(2)7(13)9-8(3-10,4-11)5-12/h6,10-12H,3-5H2,1-2H3,(H,9,13)
InChIKeyPDMRBQJBCBURGY-UHFFFAOYSA-N
XLogP-1.53
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 5-1.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylpropanamide?
The IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylpropanamide (CID 22140528) is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylpropanamide is CC(C)C(=O)NC(CO)(CO)CO.
What is the InChIKey of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylpropanamide?
The InChIKey is PDMRBQJBCBURGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4/c1-6(2)7(13)9-8(3-10,4-11)5-12/h6,10-12H,3-5H2,1-2H3,(H,9,13).
What are the key properties of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylpropanamide?
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylpropanamide has a molecular weight of 191.23 g/mol, XLogP of -1.53, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 22140528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).