N-butan-2-yl-N-(2-methoxyethyl)-1H-indole-5-carboxamide

C16H22N2O2 — CID 63770200

IUPACN-butan-2-yl-N-(2-methoxyethyl)-1H-indole-5-carboxamide
SMILESCCC(C)N(CCOC)C(=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C16H22N2O2/c1-4-12(2)18(9-10-20-3)16(19)14-5-6-15-13(11-14)7-8-17-15/h5-8,11-12,17H,4,9-10H2,1-3H3
InChIKeyUXGMJRANCBXMQY-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.06
Rot. Bonds6

About N-butan-2-yl-N-(2-methoxyethyl)-1H-indole-5-carboxamide

N-butan-2-yl-N-(2-methoxyethyl)-1H-indole-5-carboxamide (PubChem CID 63770200) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-butan-2-yl-N-(2-methoxyethyl)-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-N-(2-methoxyethyl)-1H-indole-5-carboxamide
PubChem CID63770200
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-butan-2-yl-N-(2-methoxyethyl)-1H-indole-5-carboxamide
SMILESCCC(C)N(CCOC)C(=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C16H22N2O2/c1-4-12(2)18(9-10-20-3)16(19)14-5-6-15-13(11-14)7-8-17-15/h5-8,11-12,17H,4,9-10H2,1-3H3
InChIKeyUXGMJRANCBXMQY-UHFFFAOYSA-N
XLogP3.06
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-butan-2-yl-N-(2-methoxyethyl)benzamide
CID 54946264
3-amino-N-butan-2-yl-N-(2-methoxyethyl)benzamide
CID 55001467
N-butan-2-yl-3-chloro-N-(2-methoxyethyl)-4-nitrobenzamide
CID 82778505
2-[1H-indole-5-carbonyl(methyl)amino]butanoic acid
CID 63748775
N-butyl-N-methyl-1H-indole-5-carboxamide
CID 63717689
N-(3-hydroxypropyl)-N-propan-2-yl-1H-indole-6-carboxamide
CID 55229836
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-1H-indole-6-carboxamide
CID 103190473
(2S,3S)-2-(1H-indole-5-carbonylamino)-3-methylpentanoic acid
CID 7096551
4-hydroxy-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-3-methylbenzamide
CID 103957082
N-ethyl-N-(3-hydroxypropyl)-1H-indole-5-carboxamide
CID 115771732
2-amino-N-butan-2-yl-6-chloro-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 62186979
N-(3-methoxy-2-methylpropyl)-1H-indole-6-carboxamide
CID 47432269

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-(2-methoxyethyl)-1H-indole-5-carboxamide?
The IUPAC name of N-butan-2-yl-N-(2-methoxyethyl)-1H-indole-5-carboxamide (CID 63770200) is N-butan-2-yl-N-(2-methoxyethyl)-1H-indole-5-carboxamide.
What is the SMILES notation for N-butan-2-yl-N-(2-methoxyethyl)-1H-indole-5-carboxamide?
The canonical SMILES for N-butan-2-yl-N-(2-methoxyethyl)-1H-indole-5-carboxamide is CCC(C)N(CCOC)C(=O)c1ccc2[nH]ccc2c1.
What is the InChIKey of N-butan-2-yl-N-(2-methoxyethyl)-1H-indole-5-carboxamide?
The InChIKey is UXGMJRANCBXMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-4-12(2)18(9-10-20-3)16(19)14-5-6-15-13(11-14)7-8-17-15/h5-8,11-12,17H,4,9-10H2,1-3H3.
What are the key properties of N-butan-2-yl-N-(2-methoxyethyl)-1H-indole-5-carboxamide?
N-butan-2-yl-N-(2-methoxyethyl)-1H-indole-5-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-(2-methoxyethyl)-1H-indole-5-carboxamide is sourced from PubChem (CID 63770200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).