(E,5R)-5-amino-6-(1H-indol-3-yl)-N,2,2-trimethylhex-3-enamide

C17H23N3O — CID 56967494

IUPAC(E,5R)-5-amino-6-(1H-indol-3-yl)-N,2,2-trimethylhex-3-enamide
SMILESCNC(=O)C(C)(C)/C=C/[C@H](N)Cc1c[nH]c2ccccc12
InChIInChI=1S/C17H23N3O/c1-17(2,16(21)19-3)9-8-13(18)10-12-11-20-15-7-5-4-6-14(12)15/h4-9,11,13,20H,10,18H2,1-3H3,(H,19,21)/b9-8+/t13-/m0/s1
InChIKeyUDXFFXSBGWRFIE-XEHSLEBBSA-N
MW285.39 g/mol
LogP2.37
Rot. Bonds5

About (E,5R)-5-amino-6-(1H-indol-3-yl)-N,2,2-trimethylhex-3-enamide

(E,5R)-5-amino-6-(1H-indol-3-yl)-N,2,2-trimethylhex-3-enamide (PubChem CID 56967494) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is (E,5R)-5-amino-6-(1H-indol-3-yl)-N,2,2-trimethylhex-3-enamide.

Molecular Properties

Compound Name(E,5R)-5-amino-6-(1H-indol-3-yl)-N,2,2-trimethylhex-3-enamide
PubChem CID56967494
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name(E,5R)-5-amino-6-(1H-indol-3-yl)-N,2,2-trimethylhex-3-enamide
SMILESCNC(=O)C(C)(C)/C=C/[C@H](N)Cc1c[nH]c2ccccc12
InChIInChI=1S/C17H23N3O/c1-17(2,16(21)19-3)9-8-13(18)10-12-11-20-15-7-5-4-6-14(12)15/h4-9,11,13,20H,10,18H2,1-3H3,(H,19,21)/b9-8+/t13-/m0/s1
InChIKeyUDXFFXSBGWRFIE-XEHSLEBBSA-N
XLogP2.37
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(5S)-5-amino-6-(1H-indol-3-yl)-2,2-dimethylhex-3-enamide
CID 67517548
(E,5R)-5-amino-6-(1H-indol-3-yl)-2,2-dimethylhex-3-enamide
CID 56956278
5-amino-6-(1H-indol-3-yl)-2,2-dimethylhex-3-enamide
CID 67517540
2-amino-3-(1H-indol-3-yl)propanal;methanol
CID 144925794
5-amino-4-hydroxy-6-(1H-indol-3-yl)-2,2-dimethylhex-3-enoic acid
CID 150021228
(2S)-3-(1H-indol-3-yl)-2-(methylamino)propanoic acid
CID 159251038
2-amino-3-(1H-indol-3-yl)propanal;methoxymethane
CID 144925786
2-(1-aminoethylamino)-3-(1H-indol-3-yl)propanoic acid
CID 70019941
diethylboranyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate
CID 99773095
(2S)-2-amino-N-(3,3-dimethylbutan-2-yl)-3-(1H-indol-3-yl)propanamide
CID 103827503
tert-butyl (5S)-3,5-diamino-6-(1H-indol-3-yl)-3-methyl-2-(methylamino)-4-oxohexanoate
CID 67665355
methyl (2S)-3-(1H-indol-3-yl)-2-(methylamino)propanoate
CID 10988127

Frequently Asked Questions

What is the IUPAC name of (E,5R)-5-amino-6-(1H-indol-3-yl)-N,2,2-trimethylhex-3-enamide?
The IUPAC name of (E,5R)-5-amino-6-(1H-indol-3-yl)-N,2,2-trimethylhex-3-enamide (CID 56967494) is (E,5R)-5-amino-6-(1H-indol-3-yl)-N,2,2-trimethylhex-3-enamide.
What is the SMILES notation for (E,5R)-5-amino-6-(1H-indol-3-yl)-N,2,2-trimethylhex-3-enamide?
The canonical SMILES for (E,5R)-5-amino-6-(1H-indol-3-yl)-N,2,2-trimethylhex-3-enamide is CNC(=O)C(C)(C)/C=C/[C@H](N)Cc1c[nH]c2ccccc12.
What is the InChIKey of (E,5R)-5-amino-6-(1H-indol-3-yl)-N,2,2-trimethylhex-3-enamide?
The InChIKey is UDXFFXSBGWRFIE-XEHSLEBBSA-N. The full InChI is InChI=1S/C17H23N3O/c1-17(2,16(21)19-3)9-8-13(18)10-12-11-20-15-7-5-4-6-14(12)15/h4-9,11,13,20H,10,18H2,1-3H3,(H,19,21)/b9-8+/t13-/m0/s1.
What are the key properties of (E,5R)-5-amino-6-(1H-indol-3-yl)-N,2,2-trimethylhex-3-enamide?
(E,5R)-5-amino-6-(1H-indol-3-yl)-N,2,2-trimethylhex-3-enamide has a molecular weight of 285.39 g/mol, XLogP of 2.37, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,5R)-5-amino-6-(1H-indol-3-yl)-N,2,2-trimethylhex-3-enamide is sourced from PubChem (CID 56967494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).