(2R)-2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-N-methylpropanamide

C21H25N3O2 — CID 8645036

IUPAC(2R)-2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-N-methylpropanamide
SMILESCNC(=O)[C@@H](C)NC[C@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C21H25N3O2/c1-14(21(25)22-2)23-12-18(15-8-10-16(26-3)11-9-15)19-13-24-20-7-5-4-6-17(19)20/h4-11,13-14,18,23-24H,12H2,1-3H3,(H,22,25)/t14-,18-/m1/s1
InChIKeyAOLPHGBBOCZOHK-RDTXWAMCSA-N
MW351.45 g/mol
LogP3.03
Rot. Bonds7

About (2R)-2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-N-methylpropanamide

(2R)-2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-N-methylpropanamide (PubChem CID 8645036) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is (2R)-2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-N-methylpropanamide
PubChem CID8645036
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name(2R)-2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-N-methylpropanamide
SMILESCNC(=O)[C@@H](C)NC[C@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C21H25N3O2/c1-14(21(25)22-2)23-12-18(15-8-10-16(26-3)11-9-15)19-13-24-20-7-5-4-6-17(19)20/h4-11,13-14,18,23-24H,12H2,1-3H3,(H,22,25)/t14-,18-/m1/s1
InChIKeyAOLPHGBBOCZOHK-RDTXWAMCSA-N
XLogP3.03
TPSA66.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-ethyl-2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]propanamide
CID 8645044
(2R)-N-cyclopropyl-2-[[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]propanamide
CID 8644968
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]butanamide
CID 31818454
(2R)-1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-[[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]propan-1-one
CID 8644960
1-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-phenylurea
CID 40880801
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide
CID 31216063
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-methylsulfonylpropanamide
CID 60544253
(2R)-N-cyclohexyl-2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-N-methylpropanamide
CID 8645004
(2S)-N-carbamoyl-2-[[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]amino]propanamide
CID 8645365
(2S)-1-(2,3-dihydroindol-1-yl)-2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]propan-1-one
CID 40988675
2-amino-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]pentanamide
CID 119266811
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]hexanamide
CID 43007542

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-N-methylpropanamide?
The IUPAC name of (2R)-2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-N-methylpropanamide (CID 8645036) is (2R)-2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-N-methylpropanamide.
What is the SMILES notation for (2R)-2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-N-methylpropanamide?
The canonical SMILES for (2R)-2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-N-methylpropanamide is CNC(=O)[C@@H](C)NC[C@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12.
What is the InChIKey of (2R)-2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-N-methylpropanamide?
The InChIKey is AOLPHGBBOCZOHK-RDTXWAMCSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-14(21(25)22-2)23-12-18(15-8-10-16(26-3)11-9-15)19-13-24-20-7-5-4-6-17(19)20/h4-11,13-14,18,23-24H,12H2,1-3H3,(H,22,25)/t14-,18-/m1/s1.
What are the key properties of (2R)-2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-N-methylpropanamide?
(2R)-2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-N-methylpropanamide has a molecular weight of 351.45 g/mol, XLogP of 3.03, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-N-methylpropanamide is sourced from PubChem (CID 8645036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).