ethane;N-[2-(5-phenylmethoxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide

C21H28N2O2 — CID 156715163

IUPACethane;N-[2-(5-phenylmethoxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide
SMILESCC.CC(=O)NCCC1CNc2ccc(OCc3ccccc3)cc21
InChIInChI=1S/C19H22N2O2.C2H6/c1-14(22)20-10-9-16-12-21-19-8-7-17(11-18(16)19)23-13-15-5-3-2-4-6-15;1-2/h2-8,11,16,21H,9-10,12-13H2,1H3,(H,20,22);1-2H3
InChIKeyYPBQSTWTNVURCT-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.33
Rot. Bonds6

About ethane;N-[2-(5-phenylmethoxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide

ethane;N-[2-(5-phenylmethoxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide (PubChem CID 156715163) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is ethane;N-[2-(5-phenylmethoxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Nameethane;N-[2-(5-phenylmethoxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide
PubChem CID156715163
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Nameethane;N-[2-(5-phenylmethoxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide
SMILESCC.CC(=O)NCCC1CNc2ccc(OCc3ccccc3)cc21
InChIInChI=1S/C19H22N2O2.C2H6/c1-14(22)20-10-9-16-12-21-19-8-7-17(11-18(16)19)23-13-15-5-3-2-4-6-15;1-2/h2-8,11,16,21H,9-10,12-13H2,1H3,(H,20,22);1-2H3
InChIKeyYPBQSTWTNVURCT-UHFFFAOYSA-N
XLogP4.33
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-(2-acetamidoethyl)-2,3-dihydro-1H-indole-5-carboxylic acid
CID 71126385
[2-[2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate
CID 142653052
N-[2-[6-(4-phenylbutoxy)-2,3-dihydro-1H-inden-1-yl]ethyl]acetamide
CID 25271168
methyl (2R)-5-phenylmethoxy-2,3-dihydro-1H-indole-2-carboxylate
CID 57219346
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2-methoxy-2-methylpropanamide
CID 103019631
N-[2-(3-benzoyl-7-phenylmethoxynaphthalen-1-yl)ethyl]acetamide
CID 23360886
N-[4-(4-phenylmethoxyphenyl)but-3-enyl]acetamide
CID 170489660
N-[2-(2-benzyl-6-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]acetamide
CID 25270486
(3R)-5-methoxy-3-propyl-2,3-dihydro-1H-indole
CID 124549466
1-(5-ethoxy-2,3-dihydro-1H-indol-3-yl)-N-methylmethanamine
CID 83860271
2-methyl-5-phenylmethoxy-2,3-dihydro-1H-indole
CID 166452154
N-[2-[3,4-dimethoxy-5-(4-phenylmethoxyphenyl)phenyl]ethyl]acetamide
CID 11640049

Frequently Asked Questions

What is the IUPAC name of ethane;N-[2-(5-phenylmethoxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of ethane;N-[2-(5-phenylmethoxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide (CID 156715163) is ethane;N-[2-(5-phenylmethoxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for ethane;N-[2-(5-phenylmethoxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for ethane;N-[2-(5-phenylmethoxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide is CC.CC(=O)NCCC1CNc2ccc(OCc3ccccc3)cc21.
What is the InChIKey of ethane;N-[2-(5-phenylmethoxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide?
The InChIKey is YPBQSTWTNVURCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2.C2H6/c1-14(22)20-10-9-16-12-21-19-8-7-17(11-18(16)19)23-13-15-5-3-2-4-6-15;1-2/h2-8,11,16,21H,9-10,12-13H2,1H3,(H,20,22);1-2H3.
What are the key properties of ethane;N-[2-(5-phenylmethoxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide?
ethane;N-[2-(5-phenylmethoxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide has a molecular weight of 340.47 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[2-(5-phenylmethoxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 156715163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).