(2S)-N-(2-ethoxyphenyl)-2-[2-(1H-indol-3-yl)ethylamino]-2-phenylacetamide

C26H27N3O2 — CID 7928745

IUPAC(2S)-N-(2-ethoxyphenyl)-2-[2-(1H-indol-3-yl)ethylamino]-2-phenylacetamide
SMILESCCOc1ccccc1NC(=O)[C@@H](NCCc1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C26H27N3O2/c1-2-31-24-15-9-8-14-23(24)29-26(30)25(19-10-4-3-5-11-19)27-17-16-20-18-28-22-13-7-6-12-21(20)22/h3-15,18,25,27-28H,2,16-17H2,1H3,(H,29,30)/t25-/m0/s1
InChIKeyKTLJHSPYYHBCCP-VWLOTQADSA-N
MW413.52 g/mol
LogP5.08
Rot. Bonds9

About (2S)-N-(2-ethoxyphenyl)-2-[2-(1H-indol-3-yl)ethylamino]-2-phenylacetamide

(2S)-N-(2-ethoxyphenyl)-2-[2-(1H-indol-3-yl)ethylamino]-2-phenylacetamide (PubChem CID 7928745) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is (2S)-N-(2-ethoxyphenyl)-2-[2-(1H-indol-3-yl)ethylamino]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-(2-ethoxyphenyl)-2-[2-(1H-indol-3-yl)ethylamino]-2-phenylacetamide
PubChem CID7928745
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC Name(2S)-N-(2-ethoxyphenyl)-2-[2-(1H-indol-3-yl)ethylamino]-2-phenylacetamide
SMILESCCOc1ccccc1NC(=O)[C@@H](NCCc1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C26H27N3O2/c1-2-31-24-15-9-8-14-23(24)29-26(30)25(19-10-4-3-5-11-19)27-17-16-20-18-28-22-13-7-6-12-21(20)22/h3-15,18,25,27-28H,2,16-17H2,1H3,(H,29,30)/t25-/m0/s1
InChIKeyKTLJHSPYYHBCCP-VWLOTQADSA-N
XLogP5.08
TPSA66.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.52
LogP ≤ 55.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(2-ethoxyphenyl)-3-(1H-indol-3-yl)propanamide
CID 22691563
1-N-(2-ethoxyphenyl)-2-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109138540
(2R)-2-[2-(1H-indol-3-yl)ethylamino]-N,N-dimethyl-2-phenylacetamide
CID 40938355
(2S)-N-(2-ethoxyphenyl)-2-phenyl-2-(prop-2-ynylamino)acetamide
CID 9357615
2-(cyclohexylmethylamino)-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 3873364
N-[(2-ethoxyphenyl)methyl]-2-(1H-indol-3-yl)ethanamine;hydrochloride
CID 6458900
N-[N-(2-ethoxyphenyl)-N'-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]-2-methoxybenzamide
CID 46282934
3-[2-(1H-indol-3-yl)ethylamino]-N-(2-methoxyphenyl)propanamide
CID 109027558
3-[2-(1H-indol-3-yl)ethylamino]-N-(2-propan-2-yloxyphenyl)propanamide
CID 109027564
3,4,5-triethoxy-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 27645186
N-benzhydryl-2-(1H-indol-3-yl)ethanamine
CID 101231581
1-(4-ethoxy-3-fluorophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 166188124

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-ethoxyphenyl)-2-[2-(1H-indol-3-yl)ethylamino]-2-phenylacetamide?
The IUPAC name of (2S)-N-(2-ethoxyphenyl)-2-[2-(1H-indol-3-yl)ethylamino]-2-phenylacetamide (CID 7928745) is (2S)-N-(2-ethoxyphenyl)-2-[2-(1H-indol-3-yl)ethylamino]-2-phenylacetamide.
What is the SMILES notation for (2S)-N-(2-ethoxyphenyl)-2-[2-(1H-indol-3-yl)ethylamino]-2-phenylacetamide?
The canonical SMILES for (2S)-N-(2-ethoxyphenyl)-2-[2-(1H-indol-3-yl)ethylamino]-2-phenylacetamide is CCOc1ccccc1NC(=O)[C@@H](NCCc1c[nH]c2ccccc12)c1ccccc1.
What is the InChIKey of (2S)-N-(2-ethoxyphenyl)-2-[2-(1H-indol-3-yl)ethylamino]-2-phenylacetamide?
The InChIKey is KTLJHSPYYHBCCP-VWLOTQADSA-N. The full InChI is InChI=1S/C26H27N3O2/c1-2-31-24-15-9-8-14-23(24)29-26(30)25(19-10-4-3-5-11-19)27-17-16-20-18-28-22-13-7-6-12-21(20)22/h3-15,18,25,27-28H,2,16-17H2,1H3,(H,29,30)/t25-/m0/s1.
What are the key properties of (2S)-N-(2-ethoxyphenyl)-2-[2-(1H-indol-3-yl)ethylamino]-2-phenylacetamide?
(2S)-N-(2-ethoxyphenyl)-2-[2-(1H-indol-3-yl)ethylamino]-2-phenylacetamide has a molecular weight of 413.52 g/mol, XLogP of 5.08, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-ethoxyphenyl)-2-[2-(1H-indol-3-yl)ethylamino]-2-phenylacetamide is sourced from PubChem (CID 7928745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).