2-acetamido-3-(1H-indol-3-yl)propanamide;propyl 2-acetamido-3-(1H-indol-3-yl)propanoate

C29H35N5O5 — CID 69130545

IUPAC2-acetamido-3-(1H-indol-3-yl)propanamide;propyl 2-acetamido-3-(1H-indol-3-yl)propanoate
SMILESCC(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O.CCCOC(=O)C(Cc1c[nH]c2ccccc12)NC(C)=O
InChIInChI=1S/C16H20N2O3.C13H15N3O2/c1-3-8-21-16(20)15(18-11(2)19)9-12-10-17-14-7-5-4-6-13(12)14;1-8(17)16-12(13(14)18)6-9-7-15-11-5-3-2-4-10(9)11/h4-7,10,15,17H,3,8-9H2,1-2H3,(H,18,19);2-5,7,12,15H,6H2,1H3,(H2,14,18)(H,16,17)
InChIKeyQAJWYMLPYYMGBC-UHFFFAOYSA-N
MW533.63 g/mol
LogP2.87
Rot. Bonds10

About 2-acetamido-3-(1H-indol-3-yl)propanamide;propyl 2-acetamido-3-(1H-indol-3-yl)propanoate

2-acetamido-3-(1H-indol-3-yl)propanamide;propyl 2-acetamido-3-(1H-indol-3-yl)propanoate (PubChem CID 69130545) has the molecular formula C29H35N5O5 and a molecular weight of 533.63 g/mol. Its IUPAC name is 2-acetamido-3-(1H-indol-3-yl)propanamide;propyl 2-acetamido-3-(1H-indol-3-yl)propanoate.

Molecular Properties

Compound Name2-acetamido-3-(1H-indol-3-yl)propanamide;propyl 2-acetamido-3-(1H-indol-3-yl)propanoate
PubChem CID69130545
Molecular FormulaC29H35N5O5
Molecular Weight533.63 g/mol
Exact Mass533.26
IUPAC Name2-acetamido-3-(1H-indol-3-yl)propanamide;propyl 2-acetamido-3-(1H-indol-3-yl)propanoate
SMILESCC(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O.CCCOC(=O)C(Cc1c[nH]c2ccccc12)NC(C)=O
InChIInChI=1S/C16H20N2O3.C13H15N3O2/c1-3-8-21-16(20)15(18-11(2)19)9-12-10-17-14-7-5-4-6-13(12)14;1-8(17)16-12(13(14)18)6-9-7-15-11-5-3-2-4-10(9)11/h4-7,10,15,17H,3,8-9H2,1-2H3,(H,18,19);2-5,7,12,15H,6H2,1H3,(H2,14,18)(H,16,17)
InChIKeyQAJWYMLPYYMGBC-UHFFFAOYSA-N
XLogP2.87
TPSA159.17 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.63
LogP ≤ 52.87
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-acetamido-4-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
CID 170278600
(2S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanamide
CID 15923665
2-(4-methylphenoxy)ethyl (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate
CID 8849696
butyl (4S)-4-acetamido-5-[[(2S)-1-butoxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoate
CID 22216507
[2-[di(propan-2-yl)amino]-2-oxoethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate
CID 7573513
[2-(4-ethylanilino)-2-oxoethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate
CID 7573480
[2-(4-fluoroanilino)-2-oxoethyl] 2-acetamido-3-(1H-indol-3-yl)propanoate
CID 55325867
2-acetamido-N-[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]-3-(1H-indol-3-yl)propanamide
CID 23276981
methyl (2S)-2-[(2-deuterioacetyl)amino]-3-(1H-indol-3-yl)propanoate
CID 163359044
[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate
CID 8849772
[2-(4-methoxyanilino)-2-oxoethyl] 2-acetamido-3-(1H-indol-3-yl)propanoate
CID 55325855
sodium;2-acetamido-3-(1H-indol-3-yl)propanoate;tetrahydrate
CID 172794214

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(1H-indol-3-yl)propanamide;propyl 2-acetamido-3-(1H-indol-3-yl)propanoate?
The IUPAC name of 2-acetamido-3-(1H-indol-3-yl)propanamide;propyl 2-acetamido-3-(1H-indol-3-yl)propanoate (CID 69130545) is 2-acetamido-3-(1H-indol-3-yl)propanamide;propyl 2-acetamido-3-(1H-indol-3-yl)propanoate.
What is the SMILES notation for 2-acetamido-3-(1H-indol-3-yl)propanamide;propyl 2-acetamido-3-(1H-indol-3-yl)propanoate?
The canonical SMILES for 2-acetamido-3-(1H-indol-3-yl)propanamide;propyl 2-acetamido-3-(1H-indol-3-yl)propanoate is CC(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O.CCCOC(=O)C(Cc1c[nH]c2ccccc12)NC(C)=O.
What is the InChIKey of 2-acetamido-3-(1H-indol-3-yl)propanamide;propyl 2-acetamido-3-(1H-indol-3-yl)propanoate?
The InChIKey is QAJWYMLPYYMGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3.C13H15N3O2/c1-3-8-21-16(20)15(18-11(2)19)9-12-10-17-14-7-5-4-6-13(12)14;1-8(17)16-12(13(14)18)6-9-7-15-11-5-3-2-4-10(9)11/h4-7,10,15,17H,3,8-9H2,1-2H3,(H,18,19);2-5,7,12,15H,6H2,1H3,(H2,14,18)(H,16,17).
What are the key properties of 2-acetamido-3-(1H-indol-3-yl)propanamide;propyl 2-acetamido-3-(1H-indol-3-yl)propanoate?
2-acetamido-3-(1H-indol-3-yl)propanamide;propyl 2-acetamido-3-(1H-indol-3-yl)propanoate has a molecular weight of 533.63 g/mol, XLogP of 2.87, 10 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(1H-indol-3-yl)propanamide;propyl 2-acetamido-3-(1H-indol-3-yl)propanoate is sourced from PubChem (CID 69130545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).