4-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-3-methoxybutanamide

C17H26N4O2 — CID 120597119

IUPAC4-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)Nc1ccc2ccn(CCN(C)C)c2c1
InChIInChI=1S/C17H26N4O2/c1-20(2)8-9-21-7-6-13-4-5-14(10-16(13)21)19-17(22)11-15(12-18)23-3/h4-7,10,15H,8-9,11-12,18H2,1-3H3,(H,19,22)
InChIKeyDBXZRWIIYOOPIP-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.51
Rot. Bonds8

About 4-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-3-methoxybutanamide

4-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-3-methoxybutanamide (PubChem CID 120597119) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-3-methoxybutanamide
PubChem CID120597119
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name4-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)Nc1ccc2ccn(CCN(C)C)c2c1
InChIInChI=1S/C17H26N4O2/c1-20(2)8-9-21-7-6-13-4-5-14(10-16(13)21)19-17(22)11-15(12-18)23-3/h4-7,10,15H,8-9,11-12,18H2,1-3H3,(H,19,22)
InChIKeyDBXZRWIIYOOPIP-UHFFFAOYSA-N
XLogP1.51
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-3-methoxy-N-(1-propylindol-6-yl)butanamide
CID 120592934
N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-2-(1-hydroxycyclopentyl)acetamide
CID 111539901
2-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-2-methylpropanamide
CID 119891239
4-(aminomethyl)-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]benzamide
CID 119891273
1-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]cyclopropane-1-carboxamide
CID 119891229
(2S)-2-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-4-methylpentanamide;dihydrochloride
CID 119891314
N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119891270
N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-2-hydroxy-2-phenylacetamide
CID 111539900
N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120647194
2-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-3-phenylpropanamide;dihydrochloride
CID 119891246
4-amino-5-chloro-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-2-methoxybenzamide
CID 119891303
2-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120800919

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-3-methoxybutanamide?
The IUPAC name of 4-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-3-methoxybutanamide (CID 120597119) is 4-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-3-methoxybutanamide is COC(CN)CC(=O)Nc1ccc2ccn(CCN(C)C)c2c1.
What is the InChIKey of 4-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-3-methoxybutanamide?
The InChIKey is DBXZRWIIYOOPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-20(2)8-9-21-7-6-13-4-5-14(10-16(13)21)19-17(22)11-15(12-18)23-3/h4-7,10,15H,8-9,11-12,18H2,1-3H3,(H,19,22).
What are the key properties of 4-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-3-methoxybutanamide?
4-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-3-methoxybutanamide has a molecular weight of 318.42 g/mol, XLogP of 1.51, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-3-methoxybutanamide is sourced from PubChem (CID 120597119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).