N,1,3,7-tetramethyl-N-[[(3R)-oxolan-3-yl]methyl]indole-2-carboxamide

C18H24N2O2 — CID 126424749

IUPACN,1,3,7-tetramethyl-N-[[(3R)-oxolan-3-yl]methyl]indole-2-carboxamide
SMILESCc1c(C(=O)N(C)C[C@H]2CCOC2)n(C)c2c(C)cccc12
InChIInChI=1S/C18H24N2O2/c1-12-6-5-7-15-13(2)17(20(4)16(12)15)18(21)19(3)10-14-8-9-22-11-14/h5-7,14H,8-11H2,1-4H3/t14-/m1/s1
InChIKeySJOQMZLKBKUFGG-CQSZACIVSA-N
MW300.40 g/mol
LogP2.90
Rot. Bonds3

About N,1,3,7-tetramethyl-N-[[(3R)-oxolan-3-yl]methyl]indole-2-carboxamide

N,1,3,7-tetramethyl-N-[[(3R)-oxolan-3-yl]methyl]indole-2-carboxamide (PubChem CID 126424749) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is N,1,3,7-tetramethyl-N-[[(3R)-oxolan-3-yl]methyl]indole-2-carboxamide.

Molecular Properties

Compound NameN,1,3,7-tetramethyl-N-[[(3R)-oxolan-3-yl]methyl]indole-2-carboxamide
PubChem CID126424749
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC NameN,1,3,7-tetramethyl-N-[[(3R)-oxolan-3-yl]methyl]indole-2-carboxamide
SMILESCc1c(C(=O)N(C)C[C@H]2CCOC2)n(C)c2c(C)cccc12
InChIInChI=1S/C18H24N2O2/c1-12-6-5-7-15-13(2)17(20(4)16(12)15)18(21)19(3)10-14-8-9-22-11-14/h5-7,14H,8-11H2,1-4H3/t14-/m1/s1
InChIKeySJOQMZLKBKUFGG-CQSZACIVSA-N
XLogP2.90
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

3-(2,6-dimethylphenyl)-1-methyl-1-(oxolan-3-ylmethyl)urea
CID 110875844
1,3,7-trimethyl-N-[2-(4-methylmorpholin-2-yl)ethyl]indole-2-carboxamide
CID 56717402
N-methyl-N-(oxolan-3-ylmethyl)acetamide
CID 129016783
3-[(2R)-1-(2,6-dimethylphenoxy)propan-2-yl]-1-methyl-1-[[(3S)-oxolan-3-yl]methyl]urea
CID 97221527
4-chloro-1-hydroxy-N-methyl-N-[[(3R)-oxolan-3-yl]methyl]naphthalene-2-carboxamide
CID 96562055
3-(3-chloro-2-methylphenyl)-1-methyl-1-(oxolan-3-ylmethyl)urea
CID 110875829
N-[(R)-cyclopropyl(pyridin-2-yl)methyl]-N,1,3,7-tetramethylindole-2-carboxamide
CID 99927995
N-ethyl-2-fluoro-3-methyl-N-(oxolan-3-ylmethyl)benzamide
CID 80719027
3-(2,6-dimethylphenyl)-1-methyl-1-(oxan-4-ylmethyl)urea
CID 91905258
N-methyl-N-(oxolan-3-ylmethyl)-2-phenylacetamide
CID 110875875
N-ethyl-2-iodo-3-methyl-N-(oxolan-3-ylmethyl)benzamide
CID 113223582
N-methyl-N-(oxan-4-ylmethyl)-1H-indazole-3-carboxamide
CID 64982701

Frequently Asked Questions

What is the IUPAC name of N,1,3,7-tetramethyl-N-[[(3R)-oxolan-3-yl]methyl]indole-2-carboxamide?
The IUPAC name of N,1,3,7-tetramethyl-N-[[(3R)-oxolan-3-yl]methyl]indole-2-carboxamide (CID 126424749) is N,1,3,7-tetramethyl-N-[[(3R)-oxolan-3-yl]methyl]indole-2-carboxamide.
What is the SMILES notation for N,1,3,7-tetramethyl-N-[[(3R)-oxolan-3-yl]methyl]indole-2-carboxamide?
The canonical SMILES for N,1,3,7-tetramethyl-N-[[(3R)-oxolan-3-yl]methyl]indole-2-carboxamide is Cc1c(C(=O)N(C)C[C@H]2CCOC2)n(C)c2c(C)cccc12.
What is the InChIKey of N,1,3,7-tetramethyl-N-[[(3R)-oxolan-3-yl]methyl]indole-2-carboxamide?
The InChIKey is SJOQMZLKBKUFGG-CQSZACIVSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-12-6-5-7-15-13(2)17(20(4)16(12)15)18(21)19(3)10-14-8-9-22-11-14/h5-7,14H,8-11H2,1-4H3/t14-/m1/s1.
What are the key properties of N,1,3,7-tetramethyl-N-[[(3R)-oxolan-3-yl]methyl]indole-2-carboxamide?
N,1,3,7-tetramethyl-N-[[(3R)-oxolan-3-yl]methyl]indole-2-carboxamide has a molecular weight of 300.40 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,3,7-tetramethyl-N-[[(3R)-oxolan-3-yl]methyl]indole-2-carboxamide is sourced from PubChem (CID 126424749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).