N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]butanamide;N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]propanamide

C41H46N4O4 — CID 70303218

IUPACN-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]butanamide;N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]propanamide
SMILESCCC(=O)NCCc1c[nH]c2ccc(OCc3ccccc3)cc12.CCCC(=O)NCCc1c[nH]c2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C21H24N2O2.C20H22N2O2/c1-2-6-21(24)22-12-11-17-14-23-20-10-9-18(13-19(17)20)25-15-16-7-4-3-5-8-16;1-2-20(23)21-11-10-16-13-22-19-9-8-17(12-18(16)19)24-14-15-6-4-3-5-7-15/h3-5,7-10,13-14,23H,2,6,11-12,15H2,1H3,(H,22,24);3-9,12-13,22H,2,10-11,14H2,1H3,(H,21,23)
InChIKeyGKJXFRTYVYGCJH-UHFFFAOYSA-N
MW658.84 g/mol
LogP8.02
Rot. Bonds15

About N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]butanamide;N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]propanamide

N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]butanamide;N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]propanamide (PubChem CID 70303218) has the molecular formula C41H46N4O4 and a molecular weight of 658.84 g/mol. Its IUPAC name is N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]butanamide;N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]butanamide;N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]propanamide
PubChem CID70303218
Molecular FormulaC41H46N4O4
Molecular Weight658.84 g/mol
Exact Mass658.35
IUPAC NameN-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]butanamide;N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]propanamide
SMILESCCC(=O)NCCc1c[nH]c2ccc(OCc3ccccc3)cc12.CCCC(=O)NCCc1c[nH]c2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C21H24N2O2.C20H22N2O2/c1-2-6-21(24)22-12-11-17-14-23-20-10-9-18(13-19(17)20)25-15-16-7-4-3-5-8-16;1-2-20(23)21-11-10-16-13-22-19-9-8-17(12-18(16)19)24-14-15-6-4-3-5-7-15/h3-5,7-10,13-14,23H,2,6,11-12,15H2,1H3,(H,22,24);3-9,12-13,22H,2,10-11,14H2,1H3,(H,21,23)
InChIKeyGKJXFRTYVYGCJH-UHFFFAOYSA-N
XLogP8.02
TPSA108.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.84
LogP ≤ 58.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]butanamide;N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]propanamide?
The IUPAC name of N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]butanamide;N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]propanamide (CID 70303218) is N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]butanamide;N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]propanamide.
What is the SMILES notation for N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]butanamide;N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]propanamide?
The canonical SMILES for N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]butanamide;N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]propanamide is CCC(=O)NCCc1c[nH]c2ccc(OCc3ccccc3)cc12.CCCC(=O)NCCc1c[nH]c2ccc(OCc3ccccc3)cc12.
What is the InChIKey of N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]butanamide;N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]propanamide?
The InChIKey is GKJXFRTYVYGCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2.C20H22N2O2/c1-2-6-21(24)22-12-11-17-14-23-20-10-9-18(13-19(17)20)25-15-16-7-4-3-5-8-16;1-2-20(23)21-11-10-16-13-22-19-9-8-17(12-18(16)19)24-14-15-6-4-3-5-7-15/h3-5,7-10,13-14,23H,2,6,11-12,15H2,1H3,(H,22,24);3-9,12-13,22H,2,10-11,14H2,1H3,(H,21,23).
What are the key properties of N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]butanamide;N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]propanamide?
N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]butanamide;N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]propanamide has a molecular weight of 658.84 g/mol, XLogP of 8.02, 15 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]butanamide;N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]propanamide is sourced from PubChem (CID 70303218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).