N-[2-[2-(3-ethoxyphenyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide

C21H24N2O3 — CID 58946255

IUPACN-[2-[2-(3-ethoxyphenyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide
SMILESCCOc1cccc(-c2[nH]c3ccc(OC)cc3c2CCNC(C)=O)c1
InChIInChI=1S/C21H24N2O3/c1-4-26-17-7-5-6-15(12-17)21-18(10-11-22-14(2)24)19-13-16(25-3)8-9-20(19)23-21/h5-9,12-13,23H,4,10-11H2,1-3H3,(H,22,24)
InChIKeyPSKKZTMHIFOQHZ-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.92
Rot. Bonds7

About N-[2-[2-(3-ethoxyphenyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide

N-[2-[2-(3-ethoxyphenyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide (PubChem CID 58946255) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[2-[2-(3-ethoxyphenyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(3-ethoxyphenyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide
PubChem CID58946255
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-[2-[2-(3-ethoxyphenyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide
SMILESCCOc1cccc(-c2[nH]c3ccc(OC)cc3c2CCNC(C)=O)c1
InChIInChI=1S/C21H24N2O3/c1-4-26-17-7-5-6-15(12-17)21-18(10-11-22-14(2)24)19-13-16(25-3)8-9-20(19)23-21/h5-9,12-13,23H,4,10-11H2,1-3H3,(H,22,24)
InChIKeyPSKKZTMHIFOQHZ-UHFFFAOYSA-N
XLogP3.92
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[5-methoxy-2-(3-methylphenyl)-1H-indol-3-yl]ethyl]acetamide
CID 58946267
N-[2-[2-(furan-2-yl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide
CID 58946209
N-[2-(2-acetyl-5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 15382326
N-[2-(5-methoxy-2-pentyl-1H-indol-3-yl)ethyl]acetamide
CID 68726769
N-[2-[2-[3-chloro-2-(iodomethyl)phenyl]-5-methoxy-1H-indol-3-yl]ethyl]acetamide
CID 89340135
N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]cyclopropanecarboxamide
CID 10042516
N-[2-[2-(5-chloro-2-methoxyphenyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide
CID 58946204
2-[2-(3-ethoxyphenyl)-5-iodo-1H-indol-3-yl]acetic acid
CID 3475473
2-[5-bromo-2-(3-ethoxyphenyl)-1H-indol-3-yl]acetic acid
CID 4017002
2-[5-ethoxy-2-(4-phenylphenyl)-1H-indol-3-yl]acetic acid
CID 3916073
4-[5-ethoxy-2-(3-phenoxyphenyl)-1H-indol-3-yl]butan-1-amine
CID 4309736
N-[2-[2-[(4-chloro-N-methylanilino)methyl]-5-methoxy-1H-indol-3-yl]ethyl]acetamide
CID 45269183

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-ethoxyphenyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide?
The IUPAC name of N-[2-[2-(3-ethoxyphenyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide (CID 58946255) is N-[2-[2-(3-ethoxyphenyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-(3-ethoxyphenyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[2-(3-ethoxyphenyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide is CCOc1cccc(-c2[nH]c3ccc(OC)cc3c2CCNC(C)=O)c1.
What is the InChIKey of N-[2-[2-(3-ethoxyphenyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide?
The InChIKey is PSKKZTMHIFOQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-4-26-17-7-5-6-15(12-17)21-18(10-11-22-14(2)24)19-13-16(25-3)8-9-20(19)23-21/h5-9,12-13,23H,4,10-11H2,1-3H3,(H,22,24).
What are the key properties of N-[2-[2-(3-ethoxyphenyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide?
N-[2-[2-(3-ethoxyphenyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide has a molecular weight of 352.43 g/mol, XLogP of 3.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-ethoxyphenyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide is sourced from PubChem (CID 58946255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).