N-(2-ethylphenyl)-2-[[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]-methylamino]acetamide

C27H27N3O2 — CID 9356635

IUPACN-(2-ethylphenyl)-2-[[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]-methylamino]acetamide
SMILESCCc1ccccc1NC(=O)CN(C)[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C27H27N3O2/c1-3-19-11-7-9-15-23(19)29-25(31)18-30(2)26(20-12-5-4-6-13-20)27(32)22-17-28-24-16-10-8-14-21(22)24/h4-17,26,28H,3,18H2,1-2H3,(H,29,31)/t26-/m0/s1
InChIKeyBQNDYWQNPGBTEQ-SANMLTNESA-N
MW425.53 g/mol
LogP5.22
Rot. Bonds8

About N-(2-ethylphenyl)-2-[[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]-methylamino]acetamide

N-(2-ethylphenyl)-2-[[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]-methylamino]acetamide (PubChem CID 9356635) has the molecular formula C27H27N3O2 and a molecular weight of 425.53 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]-methylamino]acetamide
PubChem CID9356635
Molecular FormulaC27H27N3O2
Molecular Weight425.53 g/mol
Exact Mass425.21
IUPAC NameN-(2-ethylphenyl)-2-[[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]-methylamino]acetamide
SMILESCCc1ccccc1NC(=O)CN(C)[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C27H27N3O2/c1-3-19-11-7-9-15-23(19)29-25(31)18-30(2)26(20-12-5-4-6-13-20)27(32)22-17-28-24-16-10-8-14-21(22)24/h4-17,26,28H,3,18H2,1-2H3,(H,29,31)/t26-/m0/s1
InChIKeyBQNDYWQNPGBTEQ-SANMLTNESA-N
XLogP5.22
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.53
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]-methylamino]-N-propylacetamide
CID 9356953
N-(4-acetamidophenyl)-2-[ethyl-[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]acetamide
CID 24506580
(2R)-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-(ethylcarbamoyl)-2-phenylacetamide
CID 8789263
(2R)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]-1-(1H-indol-3-yl)-2-phenylethanone
CID 9356605
(2S)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-1-(1H-indol-3-yl)-2-phenylethanone
CID 8774768
N-[2-(hydroxymethyl)phenyl]-2-(1H-indol-3-yl)acetamide
CID 60653710
N-[1-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46563864
(2S)-N-(4-fluorophenyl)-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-phenylacetamide
CID 90661442
2-[(1-benzylpyrazol-4-yl)methyl-methylamino]-1-(1H-indol-3-yl)-2-phenylethanone
CID 16568385
N-benzyl-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 18083031
N-[6-(2-ethylanilino)pyridazin-3-yl]-2-(1H-indol-3-yl)acetamide
CID 113046653
(2S)-N-(2-ethoxyphenyl)-2-[2-(1H-indol-3-yl)ethylamino]-2-phenylacetamide
CID 7928745

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]-methylamino]acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-[[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]-methylamino]acetamide (CID 9356635) is N-(2-ethylphenyl)-2-[[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]-methylamino]acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]-methylamino]acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]-methylamino]acetamide is CCc1ccccc1NC(=O)CN(C)[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1.
What is the InChIKey of N-(2-ethylphenyl)-2-[[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]-methylamino]acetamide?
The InChIKey is BQNDYWQNPGBTEQ-SANMLTNESA-N. The full InChI is InChI=1S/C27H27N3O2/c1-3-19-11-7-9-15-23(19)29-25(31)18-30(2)26(20-12-5-4-6-13-20)27(32)22-17-28-24-16-10-8-14-21(22)24/h4-17,26,28H,3,18H2,1-2H3,(H,29,31)/t26-/m0/s1.
What are the key properties of N-(2-ethylphenyl)-2-[[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]-methylamino]acetamide?
N-(2-ethylphenyl)-2-[[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]-methylamino]acetamide has a molecular weight of 425.53 g/mol, XLogP of 5.22, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]-methylamino]acetamide is sourced from PubChem (CID 9356635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).