N-[1-(6-phenylmethoxy-3H-indol-2-yl)ethyl]acetamide

C19H20N2O2 — CID 58047620

IUPACN-[1-(6-phenylmethoxy-3H-indol-2-yl)ethyl]acetamide
SMILESCC(=O)NC(C)C1=Nc2cc(OCc3ccccc3)ccc2C1
InChIInChI=1S/C19H20N2O2/c1-13(20-14(2)22)18-10-16-8-9-17(11-19(16)21-18)23-12-15-6-4-3-5-7-15/h3-9,11,13H,10,12H2,1-2H3,(H,20,22)
InChIKeyOOLBCKPZVUCIPB-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.42
Rot. Bonds5

About N-[1-(6-phenylmethoxy-3H-indol-2-yl)ethyl]acetamide

N-[1-(6-phenylmethoxy-3H-indol-2-yl)ethyl]acetamide (PubChem CID 58047620) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[1-(6-phenylmethoxy-3H-indol-2-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[1-(6-phenylmethoxy-3H-indol-2-yl)ethyl]acetamide
PubChem CID58047620
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC NameN-[1-(6-phenylmethoxy-3H-indol-2-yl)ethyl]acetamide
SMILESCC(=O)NC(C)C1=Nc2cc(OCc3ccccc3)ccc2C1
InChIInChI=1S/C19H20N2O2/c1-13(20-14(2)22)18-10-16-8-9-17(11-19(16)21-18)23-12-15-6-4-3-5-7-15/h3-9,11,13H,10,12H2,1-2H3,(H,20,22)
InChIKeyOOLBCKPZVUCIPB-UHFFFAOYSA-N
XLogP3.42
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-oxo-6-phenylmethoxy-3,4-dihydroisoquinolin-2-yl)propan-2-yl]acetamide
CID 57280943
(2R)-2-(4-phenylmethoxyphenoxy)propanoic acid
CID 1490297
(2S)-2-(4-phenylmethoxyphenoxy)propanoic acid
CID 1490295
N-[(1R)-1-[(2R)-6-[2-(4-phenylmethoxyphenyl)ethynyl]-2,3-dihydro-1-benzofuran-2-yl]ethyl]acetamide;N-[(1S)-1-[(2S)-6-[2-(4-phenylmethoxyphenyl)ethynyl]-2,3-dihydro-1-benzofuran-2-yl]ethyl]acetamide
CID 159165928
N-[(1R)-1-[(2R)-6-[2-(4-phenylmethoxyphenyl)ethynyl]-2,3-dihydro-1-benzofuran-2-yl]ethyl]acetamide
CID 58047669
N-[(R)-cyano-(4-phenylmethoxyphenyl)methyl]acetamide
CID 95306841
N-[(2R)-3-oxo-1-phenylbutan-2-yl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 7950524
3-[methyl-[(4-phenylmethoxyphenyl)methyl]amino]propanoic acid
CID 119134997
methyl 2-(4-phenylmethoxyphenoxy)propanoate
CID 13093988
2-acetamido-3-(5-phenylmethoxy-1H-indol-3-yl)propanoic acid
CID 2735234
methyl (1-methyl-7-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-yl) carbonate
CID 57285351
methyl 3-[3,5-bis(phenylmethoxy)phenyl]butanoate
CID 171372762

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-phenylmethoxy-3H-indol-2-yl)ethyl]acetamide?
The IUPAC name of N-[1-(6-phenylmethoxy-3H-indol-2-yl)ethyl]acetamide (CID 58047620) is N-[1-(6-phenylmethoxy-3H-indol-2-yl)ethyl]acetamide.
What is the SMILES notation for N-[1-(6-phenylmethoxy-3H-indol-2-yl)ethyl]acetamide?
The canonical SMILES for N-[1-(6-phenylmethoxy-3H-indol-2-yl)ethyl]acetamide is CC(=O)NC(C)C1=Nc2cc(OCc3ccccc3)ccc2C1.
What is the InChIKey of N-[1-(6-phenylmethoxy-3H-indol-2-yl)ethyl]acetamide?
The InChIKey is OOLBCKPZVUCIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-13(20-14(2)22)18-10-16-8-9-17(11-19(16)21-18)23-12-15-6-4-3-5-7-15/h3-9,11,13H,10,12H2,1-2H3,(H,20,22).
What are the key properties of N-[1-(6-phenylmethoxy-3H-indol-2-yl)ethyl]acetamide?
N-[1-(6-phenylmethoxy-3H-indol-2-yl)ethyl]acetamide has a molecular weight of 308.38 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-phenylmethoxy-3H-indol-2-yl)ethyl]acetamide is sourced from PubChem (CID 58047620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).