2-[(2-acetamidoacetyl)-methylamino]-N-[2-(1H-indol-3-yl)ethenyl]-3-phenylpropanamide

C24H26N4O3 — CID 70243562

IUPAC2-[(2-acetamidoacetyl)-methylamino]-N-[2-(1H-indol-3-yl)ethenyl]-3-phenylpropanamide
SMILESCC(=O)NCC(=O)N(C)C(Cc1ccccc1)C(=O)NC=Cc1c[nH]c2ccccc12
InChIInChI=1S/C24H26N4O3/c1-17(29)26-16-23(30)28(2)22(14-18-8-4-3-5-9-18)24(31)25-13-12-19-15-27-21-11-7-6-10-20(19)21/h3-13,15,22,27H,14,16H2,1-2H3,(H,25,31)(H,26,29)
InChIKeyJMIKUJNLAZTVEH-UHFFFAOYSA-N
MW418.50 g/mol
LogP2.46
Rot. Bonds8

About 2-[(2-acetamidoacetyl)-methylamino]-N-[2-(1H-indol-3-yl)ethenyl]-3-phenylpropanamide

2-[(2-acetamidoacetyl)-methylamino]-N-[2-(1H-indol-3-yl)ethenyl]-3-phenylpropanamide (PubChem CID 70243562) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 2-[(2-acetamidoacetyl)-methylamino]-N-[2-(1H-indol-3-yl)ethenyl]-3-phenylpropanamide.

Molecular Properties

Compound Name2-[(2-acetamidoacetyl)-methylamino]-N-[2-(1H-indol-3-yl)ethenyl]-3-phenylpropanamide
PubChem CID70243562
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name2-[(2-acetamidoacetyl)-methylamino]-N-[2-(1H-indol-3-yl)ethenyl]-3-phenylpropanamide
SMILESCC(=O)NCC(=O)N(C)C(Cc1ccccc1)C(=O)NC=Cc1c[nH]c2ccccc12
InChIInChI=1S/C24H26N4O3/c1-17(29)26-16-23(30)28(2)22(14-18-8-4-3-5-9-18)24(31)25-13-12-19-15-27-21-11-7-6-10-20(19)21/h3-13,15,22,27H,14,16H2,1-2H3,(H,25,31)(H,26,29)
InChIKeyJMIKUJNLAZTVEH-UHFFFAOYSA-N
XLogP2.46
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamido-N-[1-[[(Z)-2-(1H-indol-3-yl)ethenyl]amino]-1-oxo-3-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide
CID 11443575
(2S)-2-acetamido-3-(4-hydroxyphenyl)-N-[(2S)-1-[[(Z)-2-(1H-indol-3-yl)ethenyl]amino]-1-oxo-3-phenylpropan-2-yl]-N-methylpropanamide
CID 10279811
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethenyl]prop-2-enamide
CID 54348960
(2S)-2-[[(2S)-2-[acetyl(methyl)amino]-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 54500127
2-acetamido-N-[2-(1H-indol-3-yl)ethyl]-N-[2-oxo-2-[2-(5-phenylmethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)ethenylamino]ethyl]acetamide
CID 70243576
2-acetamido-N-benzyl-3-(1H-indol-3-yl)-N-methylpropanamide
CID 10736544
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]carbamoyl-methylamino]-3-phenylpropanoyl]-methylamino]-3-phenylpropanoyl]-methylamino]-3-phenylpropanamide
CID 25033790
2-amino-N-[2-[2-(1H-indol-3-yl)ethenylamino]-2-oxoethyl]benzamide
CID 85146314
(2S)-2-[[(2R)-2-[(3,5-dimethoxybenzoyl)-methylamino]-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 67675254
N'-[(E)-1H-indol-3-ylmethylideneamino]-N-(2-methylpropyl)oxamide
CID 135814046
N-[1-[[1-(benzenesulfonamido)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-N,3,5-trimethylbenzamide
CID 174366547
3-[(E)-3-phenylprop-1-enyl]-1H-indole
CID 89155870

Frequently Asked Questions

What is the IUPAC name of 2-[(2-acetamidoacetyl)-methylamino]-N-[2-(1H-indol-3-yl)ethenyl]-3-phenylpropanamide?
The IUPAC name of 2-[(2-acetamidoacetyl)-methylamino]-N-[2-(1H-indol-3-yl)ethenyl]-3-phenylpropanamide (CID 70243562) is 2-[(2-acetamidoacetyl)-methylamino]-N-[2-(1H-indol-3-yl)ethenyl]-3-phenylpropanamide.
What is the SMILES notation for 2-[(2-acetamidoacetyl)-methylamino]-N-[2-(1H-indol-3-yl)ethenyl]-3-phenylpropanamide?
The canonical SMILES for 2-[(2-acetamidoacetyl)-methylamino]-N-[2-(1H-indol-3-yl)ethenyl]-3-phenylpropanamide is CC(=O)NCC(=O)N(C)C(Cc1ccccc1)C(=O)NC=Cc1c[nH]c2ccccc12.
What is the InChIKey of 2-[(2-acetamidoacetyl)-methylamino]-N-[2-(1H-indol-3-yl)ethenyl]-3-phenylpropanamide?
The InChIKey is JMIKUJNLAZTVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-17(29)26-16-23(30)28(2)22(14-18-8-4-3-5-9-18)24(31)25-13-12-19-15-27-21-11-7-6-10-20(19)21/h3-13,15,22,27H,14,16H2,1-2H3,(H,25,31)(H,26,29).
What are the key properties of 2-[(2-acetamidoacetyl)-methylamino]-N-[2-(1H-indol-3-yl)ethenyl]-3-phenylpropanamide?
2-[(2-acetamidoacetyl)-methylamino]-N-[2-(1H-indol-3-yl)ethenyl]-3-phenylpropanamide has a molecular weight of 418.50 g/mol, XLogP of 2.46, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-acetamidoacetyl)-methylamino]-N-[2-(1H-indol-3-yl)ethenyl]-3-phenylpropanamide is sourced from PubChem (CID 70243562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).