(2R)-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide

C28H25N3O2 — CID 34211250

IUPAC(2R)-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide
SMILESC=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C28H25N3O2/c1-18-21-12-6-7-14-23(21)28(33)31(18)19(2)27(32)30-16-24(20-10-4-3-5-11-20)25-17-29-26-15-9-8-13-22(25)26/h3-15,17,19,24,29H,1,16H2,2H3,(H,30,32)/t19-,24+/m1/s1
InChIKeyKLAUGHGMRLEGDQ-DVECYGJZSA-N
MW435.53 g/mol
LogP4.93
Rot. Bonds6

About (2R)-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide

(2R)-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide (PubChem CID 34211250) has the molecular formula C28H25N3O2 and a molecular weight of 435.53 g/mol. Its IUPAC name is (2R)-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide
PubChem CID34211250
Molecular FormulaC28H25N3O2
Molecular Weight435.53 g/mol
Exact Mass435.19
IUPAC Name(2R)-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide
SMILESC=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C28H25N3O2/c1-18-21-12-6-7-14-23(21)28(33)31(18)19(2)27(32)30-16-24(20-10-4-3-5-11-20)25-17-29-26-15-9-8-13-22(25)26/h3-15,17,19,24,29H,1,16H2,2H3,(H,30,32)/t19-,24+/m1/s1
InChIKeyKLAUGHGMRLEGDQ-DVECYGJZSA-N
XLogP4.93
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(1-methylidene-3-oxoisoindol-2-yl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]propanamide
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1-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3-phenylurea
CID 27870739
N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-2-methylbenzamide
CID 35180736
N-[2-(1H-indol-3-yl)-2-phenylethyl]pentanamide
CID 24599762
N-[2-(1H-indol-3-yl)-2-phenylethyl]-3-methylfuran-2-carboxamide
CID 17449245
N-[(2R)-1-[[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]amino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 51866308
(2S)-N-carbamoyl-2-[[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]amino]propanamide
CID 8645365
(2S)-N-(1H-indol-2-ylmethyl)-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 95151014
(2S)-N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 39958008
(2S)-N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 39958004
2-chloro-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 35130080
N-[4-[[2-(1H-indol-3-yl)-2-phenylethyl]amino]-4-oxobutan-2-yl]benzamide
CID 24599874

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide?
The IUPAC name of (2R)-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide (CID 34211250) is (2R)-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide.
What is the SMILES notation for (2R)-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide?
The canonical SMILES for (2R)-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide is C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12.
What is the InChIKey of (2R)-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide?
The InChIKey is KLAUGHGMRLEGDQ-DVECYGJZSA-N. The full InChI is InChI=1S/C28H25N3O2/c1-18-21-12-6-7-14-23(21)28(33)31(18)19(2)27(32)30-16-24(20-10-4-3-5-11-20)25-17-29-26-15-9-8-13-22(25)26/h3-15,17,19,24,29H,1,16H2,2H3,(H,30,32)/t19-,24+/m1/s1.
What are the key properties of (2R)-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide?
(2R)-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide has a molecular weight of 435.53 g/mol, XLogP of 4.93, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide is sourced from PubChem (CID 34211250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).