N-[1-[5-methoxy-1-(2-phenylethyl)indol-3-yl]propan-2-yl]propanamide

C23H28N2O2 — CID 10248227

IUPACN-[1-[5-methoxy-1-(2-phenylethyl)indol-3-yl]propan-2-yl]propanamide
SMILESCCC(=O)NC(C)Cc1cn(CCc2ccccc2)c2ccc(OC)cc12
InChIInChI=1S/C23H28N2O2/c1-4-23(26)24-17(2)14-19-16-25(13-12-18-8-6-5-7-9-18)22-11-10-20(27-3)15-21(19)22/h5-11,15-17H,4,12-14H2,1-3H3,(H,24,26)
InChIKeyYQTRXHGQXJOMMX-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.35
Rot. Bonds8

About N-[1-[5-methoxy-1-(2-phenylethyl)indol-3-yl]propan-2-yl]propanamide

N-[1-[5-methoxy-1-(2-phenylethyl)indol-3-yl]propan-2-yl]propanamide (PubChem CID 10248227) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[1-[5-methoxy-1-(2-phenylethyl)indol-3-yl]propan-2-yl]propanamide.

Molecular Properties

Compound NameN-[1-[5-methoxy-1-(2-phenylethyl)indol-3-yl]propan-2-yl]propanamide
PubChem CID10248227
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC NameN-[1-[5-methoxy-1-(2-phenylethyl)indol-3-yl]propan-2-yl]propanamide
SMILESCCC(=O)NC(C)Cc1cn(CCc2ccccc2)c2ccc(OC)cc12
InChIInChI=1S/C23H28N2O2/c1-4-23(26)24-17(2)14-19-16-25(13-12-18-8-6-5-7-9-18)22-11-10-20(27-3)15-21(19)22/h5-11,15-17H,4,12-14H2,1-3H3,(H,24,26)
InChIKeyYQTRXHGQXJOMMX-UHFFFAOYSA-N
XLogP4.35
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.35
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
2-[5-methoxy-1-(2-phenylethyl)indol-3-yl]-N,N-dimethylethanamine
CID 3028951
2-[5-methoxy-1-(2-phenylethyl)indol-3-yl]propan-1-amine
CID 11130636
methyl 2-(1-benzyl-5-methoxyindol-3-yl)acetate
CID 10859841
2-[(1-benzyl-5-methoxyindol-3-yl)methylamino]-2-phenylacetic acid
CID 19796681
benzyl 3-[5-methoxy-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]indol-3-yl]-2-(phenylmethoxycarbonylamino)propanoate;ethane
CID 145381649
N-[1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 46975396
N-[(2S)-1-phenylpropan-2-yl]propanamide
CID 102304952
methyl 2-[1-(2-aminoethyl)-5-methoxyindol-3-yl]acetate
CID 83948380
benzyl 2-(1-benzyl-5-methoxyindol-3-yl)acetate
CID 10667803
N-[1-(3-methoxyphenyl)propan-2-yl]butanamide
CID 174918913
N-[(2R)-1-(3-methoxyphenyl)propan-2-yl]butanamide
CID 174918939

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-methoxy-1-(2-phenylethyl)indol-3-yl]propan-2-yl]propanamide?
The IUPAC name of N-[1-[5-methoxy-1-(2-phenylethyl)indol-3-yl]propan-2-yl]propanamide (CID 10248227) is N-[1-[5-methoxy-1-(2-phenylethyl)indol-3-yl]propan-2-yl]propanamide.
What is the SMILES notation for N-[1-[5-methoxy-1-(2-phenylethyl)indol-3-yl]propan-2-yl]propanamide?
The canonical SMILES for N-[1-[5-methoxy-1-(2-phenylethyl)indol-3-yl]propan-2-yl]propanamide is CCC(=O)NC(C)Cc1cn(CCc2ccccc2)c2ccc(OC)cc12.
What is the InChIKey of N-[1-[5-methoxy-1-(2-phenylethyl)indol-3-yl]propan-2-yl]propanamide?
The InChIKey is YQTRXHGQXJOMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-4-23(26)24-17(2)14-19-16-25(13-12-18-8-6-5-7-9-18)22-11-10-20(27-3)15-21(19)22/h5-11,15-17H,4,12-14H2,1-3H3,(H,24,26).
What are the key properties of N-[1-[5-methoxy-1-(2-phenylethyl)indol-3-yl]propan-2-yl]propanamide?
N-[1-[5-methoxy-1-(2-phenylethyl)indol-3-yl]propan-2-yl]propanamide has a molecular weight of 364.49 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-methoxy-1-(2-phenylethyl)indol-3-yl]propan-2-yl]propanamide is sourced from PubChem (CID 10248227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).