2-acetamido-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(1H-indol-3-yl)propanamide

C24H29N3O4 — CID 78878483

IUPAC2-acetamido-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(1H-indol-3-yl)propanamide
SMILESCOc1cc(C)c(C(C)NC(=O)C(Cc2c[nH]c3ccccc23)NC(C)=O)cc1OC
InChIInChI=1S/C24H29N3O4/c1-14-10-22(30-4)23(31-5)12-19(14)15(2)26-24(29)21(27-16(3)28)11-17-13-25-20-9-7-6-8-18(17)20/h6-10,12-13,15,21,25H,11H2,1-5H3,(H,26,29)(H,27,28)
InChIKeyITCJDKUHXVZFCR-UHFFFAOYSA-N
MW423.51 g/mol
LogP3.42
Rot. Bonds8

About 2-acetamido-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(1H-indol-3-yl)propanamide

2-acetamido-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(1H-indol-3-yl)propanamide (PubChem CID 78878483) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is 2-acetamido-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound Name2-acetamido-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(1H-indol-3-yl)propanamide
PubChem CID78878483
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC Name2-acetamido-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(1H-indol-3-yl)propanamide
SMILESCOc1cc(C)c(C(C)NC(=O)C(Cc2c[nH]c3ccccc23)NC(C)=O)cc1OC
InChIInChI=1S/C24H29N3O4/c1-14-10-22(30-4)23(31-5)12-19(14)15(2)26-24(29)21(27-16(3)28)11-17-13-25-20-9-7-6-8-18(17)20/h6-10,12-13,15,21,25H,11H2,1-5H3,(H,26,29)(H,27,28)
InChIKeyITCJDKUHXVZFCR-UHFFFAOYSA-N
XLogP3.42
TPSA92.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetamido-3-(1H-indol-3-yl)-N-[1-(2-methylphenyl)ethyl]propanamide
CID 51164456
2-acetamido-N-[1-(2-chlorophenyl)ethyl]-3-(1H-indol-3-yl)propanamide
CID 51163488
2-acetamido-3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide
CID 4224605
(2S)-2-acetamido-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide
CID 40720853
(2S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoic acid
CID 71396240
2-acetamido-N-[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]-3-(1H-indol-3-yl)propanamide
CID 23276981
(2S)-2-amino-3-(1H-indol-3-yl)-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 119955955
2-acetamido-N-(3,5-dimethylphenyl)-3-(1H-indol-3-yl)propanamide
CID 51163813
2-acetamido-3-(1H-indol-3-yl)-N-phenylpropanamide
CID 46449928
2-acetamido-N-(4-acetamido-3-methylphenyl)-3-(1H-indol-3-yl)propanamide
CID 46421755
ethyl 2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]acetate
CID 101206740
2-acetamido-3-(1H-indol-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 4919452

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(1H-indol-3-yl)propanamide?
The IUPAC name of 2-acetamido-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(1H-indol-3-yl)propanamide (CID 78878483) is 2-acetamido-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for 2-acetamido-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for 2-acetamido-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(1H-indol-3-yl)propanamide is COc1cc(C)c(C(C)NC(=O)C(Cc2c[nH]c3ccccc23)NC(C)=O)cc1OC.
What is the InChIKey of 2-acetamido-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(1H-indol-3-yl)propanamide?
The InChIKey is ITCJDKUHXVZFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-14-10-22(30-4)23(31-5)12-19(14)15(2)26-24(29)21(27-16(3)28)11-17-13-25-20-9-7-6-8-18(17)20/h6-10,12-13,15,21,25H,11H2,1-5H3,(H,26,29)(H,27,28).
What are the key properties of 2-acetamido-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(1H-indol-3-yl)propanamide?
2-acetamido-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(1H-indol-3-yl)propanamide has a molecular weight of 423.51 g/mol, XLogP of 3.42, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 78878483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).