N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide

C18H24N2O3 — CID 91773534

IUPACN-[(3R,4R)-4-hydroxyoxan-3-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide
SMILESCc1[nH]c2c(C)ccc(C)c2c1CC(=O)N[C@@H]1COCC[C@H]1O
InChIInChI=1S/C18H24N2O3/c1-10-4-5-11(2)18-17(10)13(12(3)19-18)8-16(22)20-14-9-23-7-6-15(14)21/h4-5,14-15,19,21H,6-9H2,1-3H3,(H,20,22)/t14-,15-/m1/s1
InChIKeyCUYNDFVSBCGJJG-HUUCEWRRSA-N
MW316.40 g/mol
LogP1.90
Rot. Bonds3

About N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide

N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide (PubChem CID 91773534) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-hydroxyoxan-3-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide
PubChem CID91773534
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-[(3R,4R)-4-hydroxyoxan-3-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide
SMILESCc1[nH]c2c(C)ccc(C)c2c1CC(=O)N[C@@H]1COCC[C@H]1O
InChIInChI=1S/C18H24N2O3/c1-10-4-5-11(2)18-17(10)13(12(3)19-18)8-16(22)20-14-9-23-7-6-15(14)21/h4-5,14-15,19,21H,6-9H2,1-3H3,(H,20,22)/t14-,15-/m1/s1
InChIKeyCUYNDFVSBCGJJG-HUUCEWRRSA-N
XLogP1.90
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethylphenyl)-N-[(3S,4R)-3-hydroxyoxan-4-yl]acetamide
CID 91771798
N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide
CID 97110290
1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone
CID 70743384
N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide
CID 97135281
N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-(3-methyl-2-oxo-4H-quinazolin-1-yl)acetamide
CID 91759909
N-[(3S,4S)-4-hydroxyoxan-3-yl]carbamoyl iodide
CID 122536495
N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-2-(3,4-dimethylphenyl)acetamide
CID 91775491
N-ethyl-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanamine
CID 82495305
N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide
CID 91792802
N-[(3R,4R)-4-hydroxyoxan-3-yl]-4-(4-methoxyphenyl)butanamide
CID 91797072
2-(2-methyl-1H-indol-3-yl)-N-(4-piperidin-1-yloxolan-3-yl)acetamide
CID 171359124
N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-[(4-methylphenyl)methyl]benzamide
CID 91781332

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide?
The IUPAC name of N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide (CID 91773534) is N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide?
The canonical SMILES for N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide is Cc1[nH]c2c(C)ccc(C)c2c1CC(=O)N[C@@H]1COCC[C@H]1O.
What is the InChIKey of N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide?
The InChIKey is CUYNDFVSBCGJJG-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-10-4-5-11(2)18-17(10)13(12(3)19-18)8-16(22)20-14-9-23-7-6-15(14)21/h4-5,14-15,19,21H,6-9H2,1-3H3,(H,20,22)/t14-,15-/m1/s1.
What are the key properties of N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide?
N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide has a molecular weight of 316.40 g/mol, XLogP of 1.90, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide is sourced from PubChem (CID 91773534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).