4-(1H-indol-3-yl)-N-naphthalen-1-ylbutanamide

C22H20N2O — CID 26087317

IUPAC4-(1H-indol-3-yl)-N-naphthalen-1-ylbutanamide
SMILESO=C(CCCc1c[nH]c2ccccc12)Nc1cccc2ccccc12
InChIInChI=1S/C22H20N2O/c25-22(24-21-13-5-8-16-7-1-2-10-18(16)21)14-6-9-17-15-23-20-12-4-3-11-19(17)20/h1-5,7-8,10-13,15,23H,6,9,14H2,(H,24,25)
InChIKeyDHKNBAFCYRGPNJ-UHFFFAOYSA-N
MW328.42 g/mol
LogP5.28
Rot. Bonds5

About 4-(1H-indol-3-yl)-N-naphthalen-1-ylbutanamide

4-(1H-indol-3-yl)-N-naphthalen-1-ylbutanamide (PubChem CID 26087317) has the molecular formula C22H20N2O and a molecular weight of 328.42 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-N-naphthalen-1-ylbutanamide.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-N-naphthalen-1-ylbutanamide
PubChem CID26087317
Molecular FormulaC22H20N2O
Molecular Weight328.42 g/mol
Exact Mass328.16
IUPAC Name4-(1H-indol-3-yl)-N-naphthalen-1-ylbutanamide
SMILESO=C(CCCc1c[nH]c2ccccc12)Nc1cccc2ccccc12
InChIInChI=1S/C22H20N2O/c25-22(24-21-13-5-8-16-7-1-2-10-18(16)21)14-6-9-17-15-23-20-12-4-3-11-19(17)20/h1-5,7-8,10-13,15,23H,6,9,14H2,(H,24,25)
InChIKeyDHKNBAFCYRGPNJ-UHFFFAOYSA-N
XLogP5.28
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.42
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-(1H-indol-3-yl)-N-isoquinolin-5-ylbutanamide
CID 29371800
N-(5-chloro-2-hydroxyphenyl)-4-(1H-indol-3-yl)butanamide
CID 55369407
2-[4-(1H-indol-3-yl)butanoylamino]-N-propylbenzamide
CID 34748373
3-(1H-indol-3-yl)-N-(2-iodophenyl)propanamide
CID 7740467
4-(1H-indol-3-yl)-N'-[2-(1H-indol-3-yl)acetyl]butanehydrazide
CID 29437828
[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-(1H-indol-3-yl)butanoate
CID 7659203
N-(3-chlorophenyl)-4-(1H-indol-3-yl)butanamide
CID 7900117
4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
CID 42506947
2-[3-(1H-indol-3-yl)propanoylamino]benzamide
CID 17415976
4-(1H-indol-3-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]butanamide
CID 19397829
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-(1H-indol-3-yl)butanamide
CID 162628292
4-(1H-indol-3-yl)butanamide
CID 588715

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-N-naphthalen-1-ylbutanamide?
The IUPAC name of 4-(1H-indol-3-yl)-N-naphthalen-1-ylbutanamide (CID 26087317) is 4-(1H-indol-3-yl)-N-naphthalen-1-ylbutanamide.
What is the SMILES notation for 4-(1H-indol-3-yl)-N-naphthalen-1-ylbutanamide?
The canonical SMILES for 4-(1H-indol-3-yl)-N-naphthalen-1-ylbutanamide is O=C(CCCc1c[nH]c2ccccc12)Nc1cccc2ccccc12.
What is the InChIKey of 4-(1H-indol-3-yl)-N-naphthalen-1-ylbutanamide?
The InChIKey is DHKNBAFCYRGPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O/c25-22(24-21-13-5-8-16-7-1-2-10-18(16)21)14-6-9-17-15-23-20-12-4-3-11-19(17)20/h1-5,7-8,10-13,15,23H,6,9,14H2,(H,24,25).
What are the key properties of 4-(1H-indol-3-yl)-N-naphthalen-1-ylbutanamide?
4-(1H-indol-3-yl)-N-naphthalen-1-ylbutanamide has a molecular weight of 328.42 g/mol, XLogP of 5.28, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-N-naphthalen-1-ylbutanamide is sourced from PubChem (CID 26087317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).