N-[2-(7-phenylmethoxy-1H-indol-3-yl)ethyl]acetamide

C19H20N2O2 — CID 563604

IUPACN-[2-(7-phenylmethoxy-1H-indol-3-yl)ethyl]acetamide
SMILESCC(=O)NCCc1c[nH]c2c(OCc3ccccc3)cccc12
InChIInChI=1S/C19H20N2O2/c1-14(22)20-11-10-16-12-21-19-17(16)8-5-9-18(19)23-13-15-6-3-2-4-7-15/h2-9,12,21H,10-11,13H2,1H3,(H,20,22)
InChIKeyBTGWCLWLGUDIAM-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.43
Rot. Bonds6

About N-[2-(7-phenylmethoxy-1H-indol-3-yl)ethyl]acetamide

N-[2-(7-phenylmethoxy-1H-indol-3-yl)ethyl]acetamide (PubChem CID 563604) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[2-(7-phenylmethoxy-1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(7-phenylmethoxy-1H-indol-3-yl)ethyl]acetamide
PubChem CID563604
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC NameN-[2-(7-phenylmethoxy-1H-indol-3-yl)ethyl]acetamide
SMILESCC(=O)NCCc1c[nH]c2c(OCc3ccccc3)cccc12
InChIInChI=1S/C19H20N2O2/c1-14(22)20-11-10-16-12-21-19-17(16)8-5-9-18(19)23-13-15-6-3-2-4-7-15/h2-9,12,21H,10-11,13H2,1H3,(H,20,22)
InChIKeyBTGWCLWLGUDIAM-UHFFFAOYSA-N
XLogP3.43
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(2-acetamidoethyl)-1H-indol-7-yl] acetate
CID 169222521
2-(phenylmethoxycarbonylamino)-3-(7-phenylmethoxy-1H-indol-3-yl)propanoic acid
CID 22309430
(2R)-2-(phenylmethoxycarbonylamino)-3-(7-phenylmethoxy-1H-indol-3-yl)propanoic acid
CID 94021274
3-(2-nitropropyl)-7-phenylmethoxy-1H-indole
CID 11461053
(2S)-2-amino-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-phenylpropanamide;hydrochloride
CID 119322305
4-hydroxy-3-methyl-5-[(7-phenylmethoxy-1H-indol-3-yl)methyl]-1H-imidazol-2-one
CID 91376144
2-[[3-[2-(2-pyridin-3-ylethylamino)ethyl]-1H-indol-7-yl]oxy]acetic acid
CID 143264400
(E)-3-(7-phenylmethoxy-1H-indol-3-yl)prop-2-enamide
CID 170876586
3-[(Z)-2-nitroprop-1-enyl]-7-phenylmethoxy-1H-indole
CID 11324286
methyl N-[2-(7-bromo-1H-indol-3-yl)ethyl]carbamate
CID 25058616
N-[2-(2-benzyl-1H-indol-3-yl)ethyl]acetamide;N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 67779850
benzyl N-[(2R)-1-[7-[2-(diethylamino)-2-oxoethoxy]-1H-indol-3-yl]propan-2-yl]carbamate
CID 139809915

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-phenylmethoxy-1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of N-[2-(7-phenylmethoxy-1H-indol-3-yl)ethyl]acetamide (CID 563604) is N-[2-(7-phenylmethoxy-1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(7-phenylmethoxy-1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(7-phenylmethoxy-1H-indol-3-yl)ethyl]acetamide is CC(=O)NCCc1c[nH]c2c(OCc3ccccc3)cccc12.
What is the InChIKey of N-[2-(7-phenylmethoxy-1H-indol-3-yl)ethyl]acetamide?
The InChIKey is BTGWCLWLGUDIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-14(22)20-11-10-16-12-21-19-17(16)8-5-9-18(19)23-13-15-6-3-2-4-7-15/h2-9,12,21H,10-11,13H2,1H3,(H,20,22).
What are the key properties of N-[2-(7-phenylmethoxy-1H-indol-3-yl)ethyl]acetamide?
N-[2-(7-phenylmethoxy-1H-indol-3-yl)ethyl]acetamide has a molecular weight of 308.38 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-phenylmethoxy-1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 563604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).