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

C26H27N3O — CID 8645306

IUPAC(2R)-2-[[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]amino]-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)[C@@H](C)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)c1
InChIInChI=1S/C26H27N3O/c1-18-9-8-12-21(15-18)29-26(30)19(2)27-16-23(20-10-4-3-5-11-20)24-17-28-25-14-7-6-13-22(24)25/h3-15,17,19,23,27-28H,16H2,1-2H3,(H,29,30)/t19-,23+/m1/s1
InChIKeyGSOQTYZIVTYRSQ-XXBNENTESA-N
MW397.52 g/mol
LogP5.23
Rot. Bonds7

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

(2R)-2-[[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]amino]-N-(3-methylphenyl)propanamide (PubChem CID 8645306) has the molecular formula C26H27N3O and a molecular weight of 397.52 g/mol. Its IUPAC name is (2R)-2-[[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]amino]-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]amino]-N-(3-methylphenyl)propanamide
PubChem CID8645306
Molecular FormulaC26H27N3O
Molecular Weight397.52 g/mol
Exact Mass397.22
IUPAC Name(2R)-2-[[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]amino]-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)[C@@H](C)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)c1
InChIInChI=1S/C26H27N3O/c1-18-9-8-12-21(15-18)29-26(30)19(2)27-16-23(20-10-4-3-5-11-20)24-17-28-25-14-7-6-13-22(24)25/h3-15,17,19,23,27-28H,16H2,1-2H3,(H,29,30)/t19-,23+/m1/s1
InChIKeyGSOQTYZIVTYRSQ-XXBNENTESA-N
XLogP5.23
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.52
LogP ≤ 55.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-carbamoyl-2-[[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]amino]propanamide
CID 8645365
(2S)-N-(1,3-benzodioxol-5-yl)-2-[[(2R)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]amino]propanamide
CID 41042249
(2R)-2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-N-methylpropanamide
CID 8645036
1-[(2R)-2-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-(3-methylphenyl)urea
CID 92892911
2-[[2-(1H-indol-3-yl)-2-phenylethyl]amino]-N-(2-methoxy-5-nitrophenyl)propanamide
CID 55351244
(2S)-N-(4-fluorophenyl)-2-[[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]amino]propanamide
CID 8645674
1-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3-phenylurea
CID 27870739
1-(3-fluorophenyl)-3-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]urea
CID 92892940
3-(1H-indol-3-yl)-3-(3-methylphenyl)-N-(4-methylphenyl)propanamide
CID 3422452
(2R)-N-ethyl-2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]propanamide
CID 8645044
1-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-3-(3-methylsulfanylphenyl)urea
CID 92876044
(2R)-N-cyclopropyl-2-[[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]propanamide
CID 8644968

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]amino]-N-(3-methylphenyl)propanamide?
The IUPAC name of (2R)-2-[[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]amino]-N-(3-methylphenyl)propanamide (CID 8645306) is (2R)-2-[[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]amino]-N-(3-methylphenyl)propanamide.
What is the SMILES notation for (2R)-2-[[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]amino]-N-(3-methylphenyl)propanamide?
The canonical SMILES for (2R)-2-[[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]amino]-N-(3-methylphenyl)propanamide is Cc1cccc(NC(=O)[C@@H](C)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)c1.
What is the InChIKey of (2R)-2-[[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]amino]-N-(3-methylphenyl)propanamide?
The InChIKey is GSOQTYZIVTYRSQ-XXBNENTESA-N. The full InChI is InChI=1S/C26H27N3O/c1-18-9-8-12-21(15-18)29-26(30)19(2)27-16-23(20-10-4-3-5-11-20)24-17-28-25-14-7-6-13-22(24)25/h3-15,17,19,23,27-28H,16H2,1-2H3,(H,29,30)/t19-,23+/m1/s1.
What are the key properties of (2R)-2-[[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]amino]-N-(3-methylphenyl)propanamide?
(2R)-2-[[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]amino]-N-(3-methylphenyl)propanamide has a molecular weight of 397.52 g/mol, XLogP of 5.23, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]amino]-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 8645306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).