4-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide

C15H21N3O2 — CID 26652

IUPAC4-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide
SMILESCOc1ccc2[nH]cc(CCNC(=O)CCCN)c2c1
InChIInChI=1S/C15H21N3O2/c1-20-12-4-5-14-13(9-12)11(10-18-14)6-8-17-15(19)3-2-7-16/h4-5,9-10,18H,2-3,6-8,16H2,1H3,(H,17,19)
InChIKeyMTOYPSYICXKNHX-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.57
Rot. Bonds7

About 4-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide

4-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide (PubChem CID 26652) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide
PubChem CID26652
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name4-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide
SMILESCOc1ccc2[nH]cc(CCNC(=O)CCCN)c2c1
InChIInChI=1S/C15H21N3O2/c1-20-12-4-5-14-13(9-12)11(10-18-14)6-8-17-15(19)3-2-7-16/h4-5,9-10,18H,2-3,6-8,16H2,1H3,(H,17,19)
InChIKeyMTOYPSYICXKNHX-UHFFFAOYSA-N
XLogP1.57
TPSA80.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide;(2R,3R)-2,3-dihydroxybutanedioic acid
CID 26651
4-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide;2,3-dihydroxybutanedioic acid
CID 23619193
4-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide;2,3-dihydroxybutanedioate
CID 23619192
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-methylsulfonylpropanamide
CID 131951038
ethyl 3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-3-oxopropanoate
CID 18794243
3-cyclopentyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide
CID 18947319
potassium;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;hydroxide
CID 174776187
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide
CID 131889099
3-(2-aminoethyl)-1H-indol-5-ol;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 69014970
sodium 5-methoxy-3-[2-(3-sulfonatosulfanylpropanoylamino)ethyl]-1H-indole
CID 23704768
2-[4-(dimethylamino)phenyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 18794242
1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methylguanidine
CID 142888234

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide?
The IUPAC name of 4-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide (CID 26652) is 4-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide.
What is the SMILES notation for 4-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide?
The canonical SMILES for 4-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide is COc1ccc2[nH]cc(CCNC(=O)CCCN)c2c1.
What is the InChIKey of 4-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide?
The InChIKey is MTOYPSYICXKNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-20-12-4-5-14-13(9-12)11(10-18-14)6-8-17-15(19)3-2-7-16/h4-5,9-10,18H,2-3,6-8,16H2,1H3,(H,17,19).
What are the key properties of 4-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide?
4-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide has a molecular weight of 275.35 g/mol, XLogP of 1.57, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide is sourced from PubChem (CID 26652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).