2-[ethyl-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]amino]-N-(4-methoxyphenyl)acetamide

C23H27N3O3 — CID 9027114

IUPAC2-[ethyl-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]amino]-N-(4-methoxyphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccc(OC)cc1)[C@@H](C)C(=O)c1c(C)[nH]c2ccccc12
InChIInChI=1S/C23H27N3O3/c1-5-26(14-21(27)25-17-10-12-18(29-4)13-11-17)16(3)23(28)22-15(2)24-20-9-7-6-8-19(20)22/h6-13,16,24H,5,14H2,1-4H3,(H,25,27)/t16-/m0/s1
InChIKeyPBHKYGKUJJDJGD-INIZCTEOSA-N
MW393.49 g/mol
LogP4.02
Rot. Bonds8

About 2-[ethyl-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]amino]-N-(4-methoxyphenyl)acetamide

2-[ethyl-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]amino]-N-(4-methoxyphenyl)acetamide (PubChem CID 9027114) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-[ethyl-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]amino]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[ethyl-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]amino]-N-(4-methoxyphenyl)acetamide
PubChem CID9027114
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name2-[ethyl-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]amino]-N-(4-methoxyphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccc(OC)cc1)[C@@H](C)C(=O)c1c(C)[nH]c2ccccc12
InChIInChI=1S/C23H27N3O3/c1-5-26(14-21(27)25-17-10-12-18(29-4)13-11-17)16(3)23(28)22-15(2)24-20-9-7-6-8-19(20)22/h6-13,16,24H,5,14H2,1-4H3,(H,25,27)/t16-/m0/s1
InChIKeyPBHKYGKUJJDJGD-INIZCTEOSA-N
XLogP4.02
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-2-[methyl-[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]amino]acetamide
CID 18082938
(2R)-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-naphthalen-2-ylpropanamide
CID 9027057
2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-(4-ethylphenyl)propanamide
CID 18078718
2-[methyl-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 40795859
[2-(4-fluoroanilino)-2-oxoethyl]-methyl-[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]azanium
CID 9252974
(2S)-N-[4-(difluoromethoxy)phenyl]-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]propanamide
CID 37425693
N-(2,6-dichlorophenyl)-2-[methyl-[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]amino]acetamide
CID 9287032
N-(2-chlorophenyl)-2-[methyl-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]amino]acetamide
CID 9036720
2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-(3-fluoro-4-methylphenyl)propanamide
CID 18094701
2-[methyl-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
CID 8729683
(2R)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)propan-1-one
CID 8587205
[1-(4-ethoxyanilino)-1-oxopropan-2-yl] 2-methyl-1H-indole-3-carboxylate
CID 24519182

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]amino]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[ethyl-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]amino]-N-(4-methoxyphenyl)acetamide (CID 9027114) is 2-[ethyl-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]amino]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[ethyl-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]amino]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[ethyl-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]amino]-N-(4-methoxyphenyl)acetamide is CCN(CC(=O)Nc1ccc(OC)cc1)[C@@H](C)C(=O)c1c(C)[nH]c2ccccc12.
What is the InChIKey of 2-[ethyl-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]amino]-N-(4-methoxyphenyl)acetamide?
The InChIKey is PBHKYGKUJJDJGD-INIZCTEOSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-5-26(14-21(27)25-17-10-12-18(29-4)13-11-17)16(3)23(28)22-15(2)24-20-9-7-6-8-19(20)22/h6-13,16,24H,5,14H2,1-4H3,(H,25,27)/t16-/m0/s1.
What are the key properties of 2-[ethyl-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]amino]-N-(4-methoxyphenyl)acetamide?
2-[ethyl-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]amino]-N-(4-methoxyphenyl)acetamide has a molecular weight of 393.49 g/mol, XLogP of 4.02, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]amino]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 9027114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).