1-ethyl-N-methyl-N-[(2R)-4-(methylamino)-4-oxobutan-2-yl]indole-5-carboxamide

C17H23N3O2 — CID 95548821

IUPAC1-ethyl-N-methyl-N-[(2R)-4-(methylamino)-4-oxobutan-2-yl]indole-5-carboxamide
SMILESCCn1ccc2cc(C(=O)N(C)[C@H](C)CC(=O)NC)ccc21
InChIInChI=1S/C17H23N3O2/c1-5-20-9-8-13-11-14(6-7-15(13)20)17(22)19(4)12(2)10-16(21)18-3/h6-9,11-12H,5,10H2,1-4H3,(H,18,21)/t12-/m1/s1
InChIKeyFNQCOMPBNACIIP-GFCCVEGCSA-N
MW301.39 g/mol
LogP2.26
Rot. Bonds5

About 1-ethyl-N-methyl-N-[(2R)-4-(methylamino)-4-oxobutan-2-yl]indole-5-carboxamide

1-ethyl-N-methyl-N-[(2R)-4-(methylamino)-4-oxobutan-2-yl]indole-5-carboxamide (PubChem CID 95548821) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-ethyl-N-methyl-N-[(2R)-4-(methylamino)-4-oxobutan-2-yl]indole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-methyl-N-[(2R)-4-(methylamino)-4-oxobutan-2-yl]indole-5-carboxamide
PubChem CID95548821
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name1-ethyl-N-methyl-N-[(2R)-4-(methylamino)-4-oxobutan-2-yl]indole-5-carboxamide
SMILESCCn1ccc2cc(C(=O)N(C)[C@H](C)CC(=O)NC)ccc21
InChIInChI=1S/C17H23N3O2/c1-5-20-9-8-13-11-14(6-7-15(13)20)17(22)19(4)12(2)10-16(21)18-3/h6-9,11-12H,5,10H2,1-4H3,(H,18,21)/t12-/m1/s1
InChIKeyFNQCOMPBNACIIP-GFCCVEGCSA-N
XLogP2.26
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethylindol-5-yl)butan-1-one
CID 71284644
1-[3-(methylamino)-3-oxopropyl]indole-5-carboxylic acid
CID 63749471
2-(5-carbamothioylindol-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 107920508
4-(4-aminopyrimidin-2-yl)-N-methyl-N-[(2S)-4-(methylamino)-4-oxobutan-2-yl]benzamide
CID 125436967
5-[3-[methyl-[4-(methylamino)-4-oxobutan-2-yl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 119061866
CID 175926008
CID 175926008
2-(5-fluoroindol-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 63850467
2-(5-aminoindol-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 43165357
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-1-ethylindole-5-carboxamide
CID 77085920
methyl 1-[2-(dimethylamino)ethyl]indole-5-carboxylate
CID 118096526
1-ethyl-N-[2-[(3S)-oxolan-3-yl]ethyl]indole-5-carboxamide
CID 125442573
2-(1-ethylindol-5-yl)acetaldehyde
CID 115106765

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-methyl-N-[(2R)-4-(methylamino)-4-oxobutan-2-yl]indole-5-carboxamide?
The IUPAC name of 1-ethyl-N-methyl-N-[(2R)-4-(methylamino)-4-oxobutan-2-yl]indole-5-carboxamide (CID 95548821) is 1-ethyl-N-methyl-N-[(2R)-4-(methylamino)-4-oxobutan-2-yl]indole-5-carboxamide.
What is the SMILES notation for 1-ethyl-N-methyl-N-[(2R)-4-(methylamino)-4-oxobutan-2-yl]indole-5-carboxamide?
The canonical SMILES for 1-ethyl-N-methyl-N-[(2R)-4-(methylamino)-4-oxobutan-2-yl]indole-5-carboxamide is CCn1ccc2cc(C(=O)N(C)[C@H](C)CC(=O)NC)ccc21.
What is the InChIKey of 1-ethyl-N-methyl-N-[(2R)-4-(methylamino)-4-oxobutan-2-yl]indole-5-carboxamide?
The InChIKey is FNQCOMPBNACIIP-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-5-20-9-8-13-11-14(6-7-15(13)20)17(22)19(4)12(2)10-16(21)18-3/h6-9,11-12H,5,10H2,1-4H3,(H,18,21)/t12-/m1/s1.
What are the key properties of 1-ethyl-N-methyl-N-[(2R)-4-(methylamino)-4-oxobutan-2-yl]indole-5-carboxamide?
1-ethyl-N-methyl-N-[(2R)-4-(methylamino)-4-oxobutan-2-yl]indole-5-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-methyl-N-[(2R)-4-(methylamino)-4-oxobutan-2-yl]indole-5-carboxamide is sourced from PubChem (CID 95548821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).