2-[3-(2-aminobutyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide

C19H23N3O2 — CID 170889663

IUPAC2-[3-(2-aminobutyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide
SMILESCCC(N)Cc1cn(CC(=O)NCc2ccco2)c2ccccc12
InChIInChI=1S/C19H23N3O2/c1-2-15(20)10-14-12-22(18-8-4-3-7-17(14)18)13-19(23)21-11-16-6-5-9-24-16/h3-9,12,15H,2,10-11,13,20H2,1H3,(H,21,23)
InChIKeyYMLIKKMCHFUANR-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.83
Rot. Bonds7

About 2-[3-(2-aminobutyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide

2-[3-(2-aminobutyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 170889663) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-[3-(2-aminobutyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[3-(2-aminobutyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide
PubChem CID170889663
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name2-[3-(2-aminobutyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide
SMILESCCC(N)Cc1cn(CC(=O)NCc2ccco2)c2ccccc12
InChIInChI=1S/C19H23N3O2/c1-2-15(20)10-14-12-22(18-8-4-3-7-17(14)18)13-19(23)21-11-16-6-5-9-24-16/h3-9,12,15H,2,10-11,13,20H2,1H3,(H,21,23)
InChIKeyYMLIKKMCHFUANR-UHFFFAOYSA-N
XLogP2.83
TPSA73.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-benzoylindol-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 1089001
2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 963182
2-[3-(benzenesulfonyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 16935380
N-(furan-2-ylmethyl)-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide
CID 16935594
N-ethyl-2-[3-[(propan-2-ylamino)methyl]indol-1-yl]acetamide
CID 66407991
1-(furan-2-yl)-N-[(1-propylindol-3-yl)methyl]methanamine
CID 94074131
3-(1-benzylindol-3-yl)-N-(furan-2-ylmethyl)-4-phenylbutanamide
CID 3986861
methyl 2-[3-(2-aminopropyl)indol-1-yl]acetate
CID 170891361
3-amino-N-(furan-2-ylmethyl)butanamide
CID 60835501
2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 20902600
2-bromo-N-(furan-2-ylmethyl)butanamide
CID 25219706
N-(furan-2-ylmethyl)-2-[3-[(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetamide
CID 1417203

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminobutyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[3-(2-aminobutyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide (CID 170889663) is 2-[3-(2-aminobutyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[3-(2-aminobutyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[3-(2-aminobutyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide is CCC(N)Cc1cn(CC(=O)NCc2ccco2)c2ccccc12.
What is the InChIKey of 2-[3-(2-aminobutyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is YMLIKKMCHFUANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-2-15(20)10-14-12-22(18-8-4-3-7-17(14)18)13-19(23)21-11-16-6-5-9-24-16/h3-9,12,15H,2,10-11,13,20H2,1H3,(H,21,23).
What are the key properties of 2-[3-(2-aminobutyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide?
2-[3-(2-aminobutyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 325.41 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminobutyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 170889663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).