2-amino-3-(1H-indol-3-yl)-N-[1-oxo-1-[(1-oxo-3-phenylpropan-2-yl)amino]propan-2-yl]propanamide

C23H26N4O3 — CID 101012785

IUPAC2-amino-3-(1H-indol-3-yl)-N-[1-oxo-1-[(1-oxo-3-phenylpropan-2-yl)amino]propan-2-yl]propanamide
SMILESCC(NC(=O)C(N)Cc1c[nH]c2ccccc12)C(=O)NC(C=O)Cc1ccccc1
InChIInChI=1S/C23H26N4O3/c1-15(22(29)27-18(14-28)11-16-7-3-2-4-8-16)26-23(30)20(24)12-17-13-25-21-10-6-5-9-19(17)21/h2-10,13-15,18,20,25H,11-12,24H2,1H3,(H,26,30)(H,27,29)
InChIKeyFXCVYIXVVDENSY-UHFFFAOYSA-N
MW406.49 g/mol
LogP1.47
Rot. Bonds9

About 2-amino-3-(1H-indol-3-yl)-N-[1-oxo-1-[(1-oxo-3-phenylpropan-2-yl)amino]propan-2-yl]propanamide

2-amino-3-(1H-indol-3-yl)-N-[1-oxo-1-[(1-oxo-3-phenylpropan-2-yl)amino]propan-2-yl]propanamide (PubChem CID 101012785) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 2-amino-3-(1H-indol-3-yl)-N-[1-oxo-1-[(1-oxo-3-phenylpropan-2-yl)amino]propan-2-yl]propanamide.

Molecular Properties

Compound Name2-amino-3-(1H-indol-3-yl)-N-[1-oxo-1-[(1-oxo-3-phenylpropan-2-yl)amino]propan-2-yl]propanamide
PubChem CID101012785
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name2-amino-3-(1H-indol-3-yl)-N-[1-oxo-1-[(1-oxo-3-phenylpropan-2-yl)amino]propan-2-yl]propanamide
SMILESCC(NC(=O)C(N)Cc1c[nH]c2ccccc12)C(=O)NC(C=O)Cc1ccccc1
InChIInChI=1S/C23H26N4O3/c1-15(22(29)27-18(14-28)11-16-7-3-2-4-8-16)26-23(30)20(24)12-17-13-25-21-10-6-5-9-19(17)21/h2-10,13-15,18,20,25H,11-12,24H2,1H3,(H,26,30)(H,27,29)
InChIKeyFXCVYIXVVDENSY-UHFFFAOYSA-N
XLogP1.47
TPSA117.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 51.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-[(2S)-1-[deuterio-[(2S)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-(1H-indol-3-yl)propanamide
CID 123380763
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 25234265
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-methylbutanoic acid
CID 14410610
2-[[2-[2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]propanoylamino]-3-phenylpropanoyl]amino]acetic acid
CID 78064906
(2S)-2-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-3-(1H-indol-3-yl)propanamide;hydrochloride
CID 119956120
2-[[2-[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]propanoylamino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoic acid
CID 19942386
3-[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]propanoylamino]-4-(1-carboxyethylamino)-4-oxobutanoic acid
CID 19942112
3-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-[[1-(1-carboxyethylamino)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
CID 19943246
2-[[2-[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]propanoylamino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoic acid
CID 19942365
2-[[2-[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]propanoylamino]-3-hydroxybutanoyl]amino]propanoic acid
CID 19942370
2-[[2-[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]propanoylamino]-3-phenylpropanoyl]amino]-3-methylpentanoic acid
CID 19942321
2-[2-[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]propanoylamino]-3-(1H-indol-3-yl)propanoic acid
CID 19950037

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1H-indol-3-yl)-N-[1-oxo-1-[(1-oxo-3-phenylpropan-2-yl)amino]propan-2-yl]propanamide?
The IUPAC name of 2-amino-3-(1H-indol-3-yl)-N-[1-oxo-1-[(1-oxo-3-phenylpropan-2-yl)amino]propan-2-yl]propanamide (CID 101012785) is 2-amino-3-(1H-indol-3-yl)-N-[1-oxo-1-[(1-oxo-3-phenylpropan-2-yl)amino]propan-2-yl]propanamide.
What is the SMILES notation for 2-amino-3-(1H-indol-3-yl)-N-[1-oxo-1-[(1-oxo-3-phenylpropan-2-yl)amino]propan-2-yl]propanamide?
The canonical SMILES for 2-amino-3-(1H-indol-3-yl)-N-[1-oxo-1-[(1-oxo-3-phenylpropan-2-yl)amino]propan-2-yl]propanamide is CC(NC(=O)C(N)Cc1c[nH]c2ccccc12)C(=O)NC(C=O)Cc1ccccc1.
What is the InChIKey of 2-amino-3-(1H-indol-3-yl)-N-[1-oxo-1-[(1-oxo-3-phenylpropan-2-yl)amino]propan-2-yl]propanamide?
The InChIKey is FXCVYIXVVDENSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-15(22(29)27-18(14-28)11-16-7-3-2-4-8-16)26-23(30)20(24)12-17-13-25-21-10-6-5-9-19(17)21/h2-10,13-15,18,20,25H,11-12,24H2,1H3,(H,26,30)(H,27,29).
What are the key properties of 2-amino-3-(1H-indol-3-yl)-N-[1-oxo-1-[(1-oxo-3-phenylpropan-2-yl)amino]propan-2-yl]propanamide?
2-amino-3-(1H-indol-3-yl)-N-[1-oxo-1-[(1-oxo-3-phenylpropan-2-yl)amino]propan-2-yl]propanamide has a molecular weight of 406.49 g/mol, XLogP of 1.47, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1H-indol-3-yl)-N-[1-oxo-1-[(1-oxo-3-phenylpropan-2-yl)amino]propan-2-yl]propanamide is sourced from PubChem (CID 101012785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).