N-(2,2-dimethyloxan-4-yl)-N-ethyl-1H-indole-5-carboxamide

C18H24N2O2 — CID 126810790

IUPACN-(2,2-dimethyloxan-4-yl)-N-ethyl-1H-indole-5-carboxamide
SMILESCCN(C(=O)c1ccc2[nH]ccc2c1)C1CCOC(C)(C)C1
InChIInChI=1S/C18H24N2O2/c1-4-20(15-8-10-22-18(2,3)12-15)17(21)14-5-6-16-13(11-14)7-9-19-16/h5-7,9,11,15,19H,4,8,10,12H2,1-3H3
InChIKeyVRFLPXHWLPWAAO-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.59
Rot. Bonds3

About N-(2,2-dimethyloxan-4-yl)-N-ethyl-1H-indole-5-carboxamide

N-(2,2-dimethyloxan-4-yl)-N-ethyl-1H-indole-5-carboxamide (PubChem CID 126810790) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-(2,2-dimethyloxan-4-yl)-N-ethyl-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethyloxan-4-yl)-N-ethyl-1H-indole-5-carboxamide
PubChem CID126810790
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC NameN-(2,2-dimethyloxan-4-yl)-N-ethyl-1H-indole-5-carboxamide
SMILESCCN(C(=O)c1ccc2[nH]ccc2c1)C1CCOC(C)(C)C1
InChIInChI=1S/C18H24N2O2/c1-4-20(15-8-10-22-18(2,3)12-15)17(21)14-5-6-16-13(11-14)7-9-19-16/h5-7,9,11,15,19H,4,8,10,12H2,1-3H3
InChIKeyVRFLPXHWLPWAAO-UHFFFAOYSA-N
XLogP3.59
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-N-(2,2-dimethyloxan-4-yl)-N-ethyl-2-oxo-1H-benzimidazole-5-carboxamide
CID 154742386
N-[(4S)-2,2-dimethyloxan-4-yl]-N-ethyl-2-propylpyridine-4-carboxamide
CID 95128544
N-(2,2-dimethyloxan-4-yl)-N-ethyl-4-(propylsulfamoyl)benzamide
CID 135119424
N-[(4S)-2,2-dimethyloxan-4-yl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-ethylbenzamide
CID 95895911
N-(2,2-dimethyloxan-4-yl)-N-ethyl-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 70725369
2-[cyclopentyl(1H-indole-5-carbonyl)amino]acetic acid
CID 63748053
N-cyclopentyl-N-(2-hydroxyethyl)-1H-indole-5-carboxamide
CID 63748789
N-(2,2-dimethyloxan-4-yl)-N-ethyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carboxamide
CID 154759117
N-[(4S)-2,2-dimethyloxan-4-yl]-N-ethyl-3-(4-hydroxyphenyl)-1H-pyrazole-5-carboxamide
CID 136696811
2-anilino-N-[(4S)-2,2-dimethyloxan-4-yl]-N-ethylpyrimidine-5-carboxamide
CID 97149283
N-[(4R)-2,2-dimethyloxan-4-yl]-N-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide
CID 95728897
N-cyclopentyl-N-prop-2-enyl-1H-indole-5-carboxamide
CID 63717710

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyloxan-4-yl)-N-ethyl-1H-indole-5-carboxamide?
The IUPAC name of N-(2,2-dimethyloxan-4-yl)-N-ethyl-1H-indole-5-carboxamide (CID 126810790) is N-(2,2-dimethyloxan-4-yl)-N-ethyl-1H-indole-5-carboxamide.
What is the SMILES notation for N-(2,2-dimethyloxan-4-yl)-N-ethyl-1H-indole-5-carboxamide?
The canonical SMILES for N-(2,2-dimethyloxan-4-yl)-N-ethyl-1H-indole-5-carboxamide is CCN(C(=O)c1ccc2[nH]ccc2c1)C1CCOC(C)(C)C1.
What is the InChIKey of N-(2,2-dimethyloxan-4-yl)-N-ethyl-1H-indole-5-carboxamide?
The InChIKey is VRFLPXHWLPWAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-4-20(15-8-10-22-18(2,3)12-15)17(21)14-5-6-16-13(11-14)7-9-19-16/h5-7,9,11,15,19H,4,8,10,12H2,1-3H3.
What are the key properties of N-(2,2-dimethyloxan-4-yl)-N-ethyl-1H-indole-5-carboxamide?
N-(2,2-dimethyloxan-4-yl)-N-ethyl-1H-indole-5-carboxamide has a molecular weight of 300.40 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyloxan-4-yl)-N-ethyl-1H-indole-5-carboxamide is sourced from PubChem (CID 126810790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).