N-[2-(1H-indol-3-yl)-2-phenylethyl]pentanamide

C21H24N2O — CID 24599762

IUPACN-[2-(1H-indol-3-yl)-2-phenylethyl]pentanamide
SMILESCCCCC(=O)NCC(c1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C21H24N2O/c1-2-3-13-21(24)23-14-18(16-9-5-4-6-10-16)19-15-22-20-12-8-7-11-17(19)20/h4-12,15,18,22H,2-3,13-14H2,1H3,(H,23,24)
InChIKeyKIHLWBQUZWHCTM-UHFFFAOYSA-N
MW320.44 g/mol
LogP4.61
Rot. Bonds7

About N-[2-(1H-indol-3-yl)-2-phenylethyl]pentanamide

N-[2-(1H-indol-3-yl)-2-phenylethyl]pentanamide (PubChem CID 24599762) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)-2-phenylethyl]pentanamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)-2-phenylethyl]pentanamide
PubChem CID24599762
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC NameN-[2-(1H-indol-3-yl)-2-phenylethyl]pentanamide
SMILESCCCCC(=O)NCC(c1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C21H24N2O/c1-2-3-13-21(24)23-14-18(16-9-5-4-6-10-16)19-15-22-20-12-8-7-11-17(19)20/h4-12,15,18,22H,2-3,13-14H2,1H3,(H,23,24)
InChIKeyKIHLWBQUZWHCTM-UHFFFAOYSA-N
XLogP4.61
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]hexanamide
CID 43007542
N-[2-(1H-indol-3-yl)-2-phenylethyl]-4-phenylbutanamide
CID 46471647
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]butanamide
CID 31818454
1-butyl-3-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]thiourea
CID 2108617
N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]pentanamide
CID 43003960
N-[2-(1H-indol-3-yl)-2-phenylethyl]-5-oxo-5-thiophen-2-ylpentanamide
CID 24666522
N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-3-(pyrimidin-2-ylamino)propanamide
CID 94036177
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide
CID 31216063
3-(1H-indol-3-yl)-3-phenyl-N-propylpropanamide
CID 3394392
1-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3-phenylurea
CID 27870739
N-[4-[[2-(1H-indol-3-yl)-2-phenylethyl]amino]-4-oxobutan-2-yl]benzamide
CID 24599874
N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-2-methylbenzamide
CID 35180736

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)-2-phenylethyl]pentanamide?
The IUPAC name of N-[2-(1H-indol-3-yl)-2-phenylethyl]pentanamide (CID 24599762) is N-[2-(1H-indol-3-yl)-2-phenylethyl]pentanamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)-2-phenylethyl]pentanamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)-2-phenylethyl]pentanamide is CCCCC(=O)NCC(c1ccccc1)c1c[nH]c2ccccc12.
What is the InChIKey of N-[2-(1H-indol-3-yl)-2-phenylethyl]pentanamide?
The InChIKey is KIHLWBQUZWHCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c1-2-3-13-21(24)23-14-18(16-9-5-4-6-10-16)19-15-22-20-12-8-7-11-17(19)20/h4-12,15,18,22H,2-3,13-14H2,1H3,(H,23,24).
What are the key properties of N-[2-(1H-indol-3-yl)-2-phenylethyl]pentanamide?
N-[2-(1H-indol-3-yl)-2-phenylethyl]pentanamide has a molecular weight of 320.44 g/mol, XLogP of 4.61, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)-2-phenylethyl]pentanamide is sourced from PubChem (CID 24599762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).