N-[(R)-1H-indol-3-yl(phenyl)methyl]-N-methylpentanamide

C21H24N2O — CID 26741856

IUPACN-[(R)-1H-indol-3-yl(phenyl)methyl]-N-methylpentanamide
SMILESCCCCC(=O)N(C)[C@H](c1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C21H24N2O/c1-3-4-14-20(24)23(2)21(16-10-6-5-7-11-16)18-15-22-19-13-9-8-12-17(18)19/h5-13,15,21-22H,3-4,14H2,1-2H3/t21-/m1/s1
InChIKeyMFJUWLLYJQVNIF-OAQYLSRUSA-N
MW320.44 g/mol
LogP4.91
Rot. Bonds6

About N-[(R)-1H-indol-3-yl(phenyl)methyl]-N-methylpentanamide

N-[(R)-1H-indol-3-yl(phenyl)methyl]-N-methylpentanamide (PubChem CID 26741856) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is N-[(R)-1H-indol-3-yl(phenyl)methyl]-N-methylpentanamide.

Molecular Properties

Compound NameN-[(R)-1H-indol-3-yl(phenyl)methyl]-N-methylpentanamide
PubChem CID26741856
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC NameN-[(R)-1H-indol-3-yl(phenyl)methyl]-N-methylpentanamide
SMILESCCCCC(=O)N(C)[C@H](c1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C21H24N2O/c1-3-4-14-20(24)23(2)21(16-10-6-5-7-11-16)18-15-22-19-13-9-8-12-17(18)19/h5-13,15,21-22H,3-4,14H2,1-2H3/t21-/m1/s1
InChIKeyMFJUWLLYJQVNIF-OAQYLSRUSA-N
XLogP4.91
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylpentanamide
CID 45148699
N-[(S)-1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylbutanamide
CID 38997374
N-[1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylbutanamide
CID 43843126
N-[2-(1H-indol-3-yl)-2-phenylethyl]pentanamide
CID 24599762
2-(4-tert-butylphenoxy)-N-[(4-ethylphenyl)-(1H-indol-3-yl)methyl]-N-methylacetamide
CID 51064503
1-(1H-indol-3-yl)-1-thiophen-3-yloctan-4-one
CID 147397910
N-[1H-indol-3-yl-(4-methoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)acetamide
CID 43843744
N-ethyl-N-[(S)-1H-indol-3-yl-(4-methoxyphenyl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 35344394
1-O-ethyl 3-O-methyl (2S)-2-[(S)-1H-indol-3-yl(phenyl)methyl]propanedioate
CID 2036724
2-(1H-indol-3-yl)-N,N-dimethylbutanamide
CID 166107005
ethyl 3-amino-2-(1H-indol-3-yl)-3-oxopropanoate
CID 67232223
N-ethyl-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]-2-phenoxyacetamide
CID 35343469

Frequently Asked Questions

What is the IUPAC name of N-[(R)-1H-indol-3-yl(phenyl)methyl]-N-methylpentanamide?
The IUPAC name of N-[(R)-1H-indol-3-yl(phenyl)methyl]-N-methylpentanamide (CID 26741856) is N-[(R)-1H-indol-3-yl(phenyl)methyl]-N-methylpentanamide.
What is the SMILES notation for N-[(R)-1H-indol-3-yl(phenyl)methyl]-N-methylpentanamide?
The canonical SMILES for N-[(R)-1H-indol-3-yl(phenyl)methyl]-N-methylpentanamide is CCCCC(=O)N(C)[C@H](c1ccccc1)c1c[nH]c2ccccc12.
What is the InChIKey of N-[(R)-1H-indol-3-yl(phenyl)methyl]-N-methylpentanamide?
The InChIKey is MFJUWLLYJQVNIF-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H24N2O/c1-3-4-14-20(24)23(2)21(16-10-6-5-7-11-16)18-15-22-19-13-9-8-12-17(18)19/h5-13,15,21-22H,3-4,14H2,1-2H3/t21-/m1/s1.
What are the key properties of N-[(R)-1H-indol-3-yl(phenyl)methyl]-N-methylpentanamide?
N-[(R)-1H-indol-3-yl(phenyl)methyl]-N-methylpentanamide has a molecular weight of 320.44 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-1H-indol-3-yl(phenyl)methyl]-N-methylpentanamide is sourced from PubChem (CID 26741856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).