3-ethoxy-N-[(2S)-1-(1H-indol-3-yl)propan-2-yl]benzamide

C20H22N2O2 — CID 59897088

IUPAC3-ethoxy-N-[(2S)-1-(1H-indol-3-yl)propan-2-yl]benzamide
SMILESCCOc1cccc(C(=O)N[C@@H](C)Cc2c[nH]c3ccccc23)c1
InChIInChI=1S/C20H22N2O2/c1-3-24-17-8-6-7-15(12-17)20(23)22-14(2)11-16-13-21-19-10-5-4-9-18(16)19/h4-10,12-14,21H,3,11H2,1-2H3,(H,22,23)/t14-/m0/s1
InChIKeySJFPQKLOYCMEPZ-AWEZNQCLSA-N
MW322.41 g/mol
LogP3.93
Rot. Bonds6

About 3-ethoxy-N-[(2S)-1-(1H-indol-3-yl)propan-2-yl]benzamide

3-ethoxy-N-[(2S)-1-(1H-indol-3-yl)propan-2-yl]benzamide (PubChem CID 59897088) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 3-ethoxy-N-[(2S)-1-(1H-indol-3-yl)propan-2-yl]benzamide.

Molecular Properties

Compound Name3-ethoxy-N-[(2S)-1-(1H-indol-3-yl)propan-2-yl]benzamide
PubChem CID59897088
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name3-ethoxy-N-[(2S)-1-(1H-indol-3-yl)propan-2-yl]benzamide
SMILESCCOc1cccc(C(=O)N[C@@H](C)Cc2c[nH]c3ccccc23)c1
InChIInChI=1S/C20H22N2O2/c1-3-24-17-8-6-7-15(12-17)20(23)22-14(2)11-16-13-21-19-10-5-4-9-18(16)19/h4-10,12-14,21H,3,11H2,1-2H3,(H,22,23)/t14-/m0/s1
InChIKeySJFPQKLOYCMEPZ-AWEZNQCLSA-N
XLogP3.93
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(1H-indol-3-yl)propan-2-yl]pyridine-4-carboxamide
CID 3677874
N-[1-(1H-indol-3-yl)propan-2-yl]butanamide
CID 5022905
4-[hydroxy(oxido)amino]-N-[1-(1H-indol-3-yl)propan-2-yl]benzamide
CID 163142785
N-[1-(1H-indol-3-yl)propan-2-yl]-4-nitrobenzamide
CID 2827451
N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-methoxybenzamide
CID 110286403
(2S)-2-[[3-[[(1S)-1-carboxylato-2-(1H-indol-3-yl)ethyl]carbamoyl]benzoyl]amino]-3-(1H-indol-3-yl)propanoate
CID 6999230
N-[1,1-diethoxy-3-(1H-indol-3-yl)propan-2-yl]benzamide
CID 11748904
N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-2-methoxyacetamide
CID 53348431
2-chloro-N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]acetamide
CID 1162947
[2-[[(2S)-1-(1H-indol-3-yl)propan-2-yl]amino]-2-oxoethyl]azanium
CID 6929476
2-amino-N-[1-(1H-indol-3-yl)propan-2-yl]acetamide
CID 582689
2-(3-ethoxyphenoxy)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 112977733

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[(2S)-1-(1H-indol-3-yl)propan-2-yl]benzamide?
The IUPAC name of 3-ethoxy-N-[(2S)-1-(1H-indol-3-yl)propan-2-yl]benzamide (CID 59897088) is 3-ethoxy-N-[(2S)-1-(1H-indol-3-yl)propan-2-yl]benzamide.
What is the SMILES notation for 3-ethoxy-N-[(2S)-1-(1H-indol-3-yl)propan-2-yl]benzamide?
The canonical SMILES for 3-ethoxy-N-[(2S)-1-(1H-indol-3-yl)propan-2-yl]benzamide is CCOc1cccc(C(=O)N[C@@H](C)Cc2c[nH]c3ccccc23)c1.
What is the InChIKey of 3-ethoxy-N-[(2S)-1-(1H-indol-3-yl)propan-2-yl]benzamide?
The InChIKey is SJFPQKLOYCMEPZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-3-24-17-8-6-7-15(12-17)20(23)22-14(2)11-16-13-21-19-10-5-4-9-18(16)19/h4-10,12-14,21H,3,11H2,1-2H3,(H,22,23)/t14-/m0/s1.
What are the key properties of 3-ethoxy-N-[(2S)-1-(1H-indol-3-yl)propan-2-yl]benzamide?
3-ethoxy-N-[(2S)-1-(1H-indol-3-yl)propan-2-yl]benzamide has a molecular weight of 322.41 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[(2S)-1-(1H-indol-3-yl)propan-2-yl]benzamide is sourced from PubChem (CID 59897088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).