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

C15H20N2O4 — CID 107844939

IUPACN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(2-methylindol-1-yl)acetamide
SMILESCc1cc2ccccc2n1CC(=O)NC(CO)(CO)CO
InChIInChI=1S/C15H20N2O4/c1-11-6-12-4-2-3-5-13(12)17(11)7-14(21)16-15(8-18,9-19)10-20/h2-6,18-20H,7-10H2,1H3,(H,16,21)
InChIKeySBNMYZLOXAQRFW-UHFFFAOYSA-N
MW292.33 g/mol
LogP-0.22
Rot. Bonds6

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

N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(2-methylindol-1-yl)acetamide (PubChem CID 107844939) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(2-methylindol-1-yl)acetamide.

Molecular Properties

Compound NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(2-methylindol-1-yl)acetamide
PubChem CID107844939
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(2-methylindol-1-yl)acetamide
SMILESCc1cc2ccccc2n1CC(=O)NC(CO)(CO)CO
InChIInChI=1S/C15H20N2O4/c1-11-6-12-4-2-3-5-13(12)17(11)7-14(21)16-15(8-18,9-19)10-20/h2-6,18-20H,7-10H2,1H3,(H,16,21)
InChIKeySBNMYZLOXAQRFW-UHFFFAOYSA-N
XLogP-0.22
TPSA94.72 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 5-0.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methylindol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 51238620
N-[(2R)-1-hydroxybutan-2-yl]-2-(2-methylindol-1-yl)acetamide
CID 103919706
sodium 2-(2-methylindol-1-yl)acetate
CID 18735252
2-(2-methylindol-1-yl)-N-(6-methyl-2-pyridinyl)acetamide
CID 4173283
2-(2-methylindol-1-yl)-N-[(2-methylphenyl)methyl]acetamide
CID 9093001
2-(2-methylindol-1-yl)-N-pyridin-4-ylacetamide
CID 27700402
N-(4-bromophenyl)-2-(2-methylindol-1-yl)acetamide
CID 4226117
N-(2-methylcyclohexyl)-2-(2-methylindol-1-yl)acetamide
CID 5086759
N-[(1S,2R)-2-methylcyclohexyl]-2-(2-methylindol-1-yl)acetamide
CID 40655877
3-methyl-1-(2-methylindol-1-yl)butan-2-one
CID 12795650
propan-2-yl 2-(2-methylindol-1-yl)acetate
CID 54940863
N-cyclopropyl-2-[[2-(2-methylindol-1-yl)acetyl]amino]acetamide
CID 46418927

Frequently Asked Questions

What is the IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(2-methylindol-1-yl)acetamide?
The IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(2-methylindol-1-yl)acetamide (CID 107844939) is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(2-methylindol-1-yl)acetamide.
What is the SMILES notation for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(2-methylindol-1-yl)acetamide?
The canonical SMILES for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(2-methylindol-1-yl)acetamide is Cc1cc2ccccc2n1CC(=O)NC(CO)(CO)CO.
What is the InChIKey of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(2-methylindol-1-yl)acetamide?
The InChIKey is SBNMYZLOXAQRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-11-6-12-4-2-3-5-13(12)17(11)7-14(21)16-15(8-18,9-19)10-20/h2-6,18-20H,7-10H2,1H3,(H,16,21).
What are the key properties of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(2-methylindol-1-yl)acetamide?
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(2-methylindol-1-yl)acetamide has a molecular weight of 292.33 g/mol, XLogP of -0.22, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(2-methylindol-1-yl)acetamide is sourced from PubChem (CID 107844939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).