3-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-oxohexanamide;ethane

C19H29N3O3 — CID 145466112

IUPAC3-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-oxohexanamide;ethane
SMILESCC.CCCC(N)C(=O)C(=O)NCCc1c[nH]c2ccc(OC)cc12
InChIInChI=1S/C17H23N3O3.C2H6/c1-3-4-14(18)16(21)17(22)19-8-7-11-10-20-15-6-5-12(23-2)9-13(11)15;1-2/h5-6,9-10,14,20H,3-4,7-8,18H2,1-2H3,(H,19,22);1-2H3
InChIKeyLMLZRVQZBRFXLK-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.56
Rot. Bonds8

About 3-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-oxohexanamide;ethane

3-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-oxohexanamide;ethane (PubChem CID 145466112) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 3-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-oxohexanamide;ethane.

Molecular Properties

Compound Name3-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-oxohexanamide;ethane
PubChem CID145466112
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name3-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-oxohexanamide;ethane
SMILESCC.CCCC(N)C(=O)C(=O)NCCc1c[nH]c2ccc(OC)cc12
InChIInChI=1S/C17H23N3O3.C2H6/c1-3-4-14(18)16(21)17(22)19-8-7-11-10-20-15-6-5-12(23-2)9-13(11)15;1-2/h5-6,9-10,14,20H,3-4,7-8,18H2,1-2H3,(H,19,22);1-2H3
InChIKeyLMLZRVQZBRFXLK-UHFFFAOYSA-N
XLogP2.56
TPSA97.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-3-oxopropanoate
CID 18794243
2-amino-3-(1H-indol-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide
CID 70147213
potassium;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;hydroxide
CID 174776187
4-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide
CID 26652
[(2S)-1-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl] acetate
CID 51852107
(2S)-2-amino-3-(5-methoxy-1H-indol-3-yl)propanoic acid
CID 175665456
1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methylguanidine
CID 142888234
[4-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate
CID 2987344
3-(2-aminoethyl)-1H-indol-5-ol;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 69014970
3-fluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]azetidine-3-carboxamide;formic acid
CID 172894834
1-benzyl-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea
CID 18947306
2-[4-(dimethylamino)phenyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 18794242

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-oxohexanamide;ethane?
The IUPAC name of 3-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-oxohexanamide;ethane (CID 145466112) is 3-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-oxohexanamide;ethane.
What is the SMILES notation for 3-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-oxohexanamide;ethane?
The canonical SMILES for 3-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-oxohexanamide;ethane is CC.CCCC(N)C(=O)C(=O)NCCc1c[nH]c2ccc(OC)cc12.
What is the InChIKey of 3-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-oxohexanamide;ethane?
The InChIKey is LMLZRVQZBRFXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3.C2H6/c1-3-4-14(18)16(21)17(22)19-8-7-11-10-20-15-6-5-12(23-2)9-13(11)15;1-2/h5-6,9-10,14,20H,3-4,7-8,18H2,1-2H3,(H,19,22);1-2H3.
What are the key properties of 3-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-oxohexanamide;ethane?
3-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-oxohexanamide;ethane has a molecular weight of 347.46 g/mol, XLogP of 2.56, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-oxohexanamide;ethane is sourced from PubChem (CID 145466112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).