N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide

C20H22N2O2 — CID 31216063

IUPACN-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide
SMILESCCC(=O)NC[C@@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C20H22N2O2/c1-3-20(23)22-12-17(14-8-10-15(24-2)11-9-14)18-13-21-19-7-5-4-6-16(18)19/h4-11,13,17,21H,3,12H2,1-2H3,(H,22,23)/t17-/m0/s1
InChIKeyYOVMUSJBHPSSFT-KRWDZBQOSA-N
MW322.41 g/mol
LogP3.83
Rot. Bonds6

About N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide

N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide (PubChem CID 31216063) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound NameN-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide
PubChem CID31216063
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide
SMILESCCC(=O)NC[C@@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C20H22N2O2/c1-3-20(23)22-12-17(14-8-10-15(24-2)11-9-14)18-13-21-19-7-5-4-6-16(18)19/h4-11,13,17,21H,3,12H2,1-2H3,(H,22,23)/t17-/m0/s1
InChIKeyYOVMUSJBHPSSFT-KRWDZBQOSA-N
XLogP3.83
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 ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]butanamide
CID 31818454
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]hexanamide
CID 43007542
2-(dipropylamino)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
CID 43061749
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 17014566
2-(4-fluorophenoxy)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
CID 17014560
[2-[[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl] 2-ethoxyacetate
CID 9289695
1-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-phenylurea
CID 40880801
2-(4-chlorophenoxy)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
CID 17014563
2-(2,5-dioxopyrrolidin-1-yl)-N-[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
CID 9006913
2-amino-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]pentanamide
CID 119266811
2-(3,4-dimethylphenoxy)-N-[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
CID 35129166
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-methoxybenzamide
CID 17014418

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide?
The IUPAC name of N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide (CID 31216063) is N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide is CCC(=O)NC[C@@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12.
What is the InChIKey of N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide?
The InChIKey is YOVMUSJBHPSSFT-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-3-20(23)22-12-17(14-8-10-15(24-2)11-9-14)18-13-21-19-7-5-4-6-16(18)19/h4-11,13,17,21H,3,12H2,1-2H3,(H,22,23)/t17-/m0/s1.
What are the key properties of N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide?
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide has a molecular weight of 322.41 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 31216063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).