N-[2-(1-methyl-5-phenylmethoxyindol-3-yl)ethyl]propanamide

C21H24N2O2 — CID 84580371

IUPACN-[2-(1-methyl-5-phenylmethoxyindol-3-yl)ethyl]propanamide
SMILESCCC(=O)NCCc1cn(C)c2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C21H24N2O2/c1-3-21(24)22-12-11-17-14-23(2)20-10-9-18(13-19(17)20)25-15-16-7-5-4-6-8-16/h4-10,13-14H,3,11-12,15H2,1-2H3,(H,22,24)
InChIKeyKYTRMNVJBLCOFD-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.83
Rot. Bonds7

About N-[2-(1-methyl-5-phenylmethoxyindol-3-yl)ethyl]propanamide

N-[2-(1-methyl-5-phenylmethoxyindol-3-yl)ethyl]propanamide (PubChem CID 84580371) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[2-(1-methyl-5-phenylmethoxyindol-3-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(1-methyl-5-phenylmethoxyindol-3-yl)ethyl]propanamide
PubChem CID84580371
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-[2-(1-methyl-5-phenylmethoxyindol-3-yl)ethyl]propanamide
SMILESCCC(=O)NCCc1cn(C)c2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C21H24N2O2/c1-3-21(24)22-12-11-17-14-23(2)20-10-9-18(13-19(17)20)25-15-16-7-5-4-6-8-16/h4-10,13-14H,3,11-12,15H2,1-2H3,(H,22,24)
InChIKeyKYTRMNVJBLCOFD-UHFFFAOYSA-N
XLogP3.83
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[5-methoxy-1-(2-phenylethyl)indol-3-yl]ethyl]propanamide
CID 10926166
N-[2-(1-methylindol-3-yl)ethyl]-2-phenylacetamide
CID 45069412
1,3-dimethyl-5-phenylmethoxyindole
CID 23383486
2-(3-phenylmethoxyphenyl)ethanamine;N-[2-(3-phenylmethoxyphenyl)ethyl]propanamide
CID 159272620
ethyl (E)-3-(1-methyl-5-phenylmethoxyindol-3-yl)prop-2-enoate
CID 11450484
3-methyl-5-[1-[1-oxo-1-(2-phenylethylamino)propan-2-yl]-5-phenylmethoxyindol-3-yl]pent-2-enoic acid
CID 57141386
2-amino-N-[2-(1-methylindol-3-yl)ethyl]acetamide
CID 82495529
4-[5-methoxy-3-[2-(propanoylamino)ethyl]indol-1-yl]-4-oxobutanoic acid
CID 155529430
2-(5-ethoxy-1-methylindol-3-yl)ethanol
CID 82278619
2-[8-[2-(propanoylamino)ethyl]naphthalen-2-yl]oxyacetic acid
CID 18783000
3-(5-ethoxy-1-methylindol-3-yl)-N-methylpropan-1-amine
CID 98784252
N-[2-(3-methoxyphenyl)ethyl]-2-(3-phenylmethoxyphenyl)acetamide
CID 13406973

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methyl-5-phenylmethoxyindol-3-yl)ethyl]propanamide?
The IUPAC name of N-[2-(1-methyl-5-phenylmethoxyindol-3-yl)ethyl]propanamide (CID 84580371) is N-[2-(1-methyl-5-phenylmethoxyindol-3-yl)ethyl]propanamide.
What is the SMILES notation for N-[2-(1-methyl-5-phenylmethoxyindol-3-yl)ethyl]propanamide?
The canonical SMILES for N-[2-(1-methyl-5-phenylmethoxyindol-3-yl)ethyl]propanamide is CCC(=O)NCCc1cn(C)c2ccc(OCc3ccccc3)cc12.
What is the InChIKey of N-[2-(1-methyl-5-phenylmethoxyindol-3-yl)ethyl]propanamide?
The InChIKey is KYTRMNVJBLCOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-3-21(24)22-12-11-17-14-23(2)20-10-9-18(13-19(17)20)25-15-16-7-5-4-6-8-16/h4-10,13-14H,3,11-12,15H2,1-2H3,(H,22,24).
What are the key properties of N-[2-(1-methyl-5-phenylmethoxyindol-3-yl)ethyl]propanamide?
N-[2-(1-methyl-5-phenylmethoxyindol-3-yl)ethyl]propanamide has a molecular weight of 336.44 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methyl-5-phenylmethoxyindol-3-yl)ethyl]propanamide is sourced from PubChem (CID 84580371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).