(2S)-2-amino-N-(2-ethoxyphenyl)-3-(1H-indol-3-yl)propanamide

C19H21N3O2 — CID 22691563

IUPAC(2S)-2-amino-N-(2-ethoxyphenyl)-3-(1H-indol-3-yl)propanamide
SMILESCCOc1ccccc1NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12
InChIInChI=1S/C19H21N3O2/c1-2-24-18-10-6-5-9-17(18)22-19(23)15(20)11-13-12-21-16-8-4-3-7-14(13)16/h3-10,12,15,21H,2,11,20H2,1H3,(H,22,23)/t15-/m0/s1
InChIKeyCGZFQVDMZYRFPK-HNNXBMFYSA-N
MW323.40 g/mol
LogP3.08
Rot. Bonds6

About (2S)-2-amino-N-(2-ethoxyphenyl)-3-(1H-indol-3-yl)propanamide

(2S)-2-amino-N-(2-ethoxyphenyl)-3-(1H-indol-3-yl)propanamide (PubChem CID 22691563) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-ethoxyphenyl)-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-ethoxyphenyl)-3-(1H-indol-3-yl)propanamide
PubChem CID22691563
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name(2S)-2-amino-N-(2-ethoxyphenyl)-3-(1H-indol-3-yl)propanamide
SMILESCCOc1ccccc1NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12
InChIInChI=1S/C19H21N3O2/c1-2-24-18-10-6-5-9-17(18)22-19(23)15(20)11-13-12-21-16-8-4-3-7-14(13)16/h3-10,12,15,21H,2,11,20H2,1H3,(H,22,23)/t15-/m0/s1
InChIKeyCGZFQVDMZYRFPK-HNNXBMFYSA-N
XLogP3.08
TPSA80.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]benzoate
CID 22691580
(2S)-N-(2-ethoxyphenyl)-2-[2-(1H-indol-3-yl)ethylamino]-2-phenylacetamide
CID 7928745
ethyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate
CID 688583
(2S)-2-amino-N-(2-ethoxyphenyl)butanamide
CID 79025438
ethyl 2-amino-3-(1H-indol-3-yl)propanoate chloride
CID 16637454
(2S)-2-amino-3-(1H-indol-3-yl)-N-(3-methoxyphenyl)propanamide
CID 22691562
(2S)-2-amino-N-[12-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]dodecyl]-3-(1H-indol-3-yl)propanamide
CID 138706600
2-amino-N-(1H-imidazol-2-yl)-3-(1H-indol-3-yl)propanamide
CID 76999319
(2S)-2-amino-3-(1H-indol-3-yl)-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 119955955
2-amino-3-(1H-indol-3-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 43841967
(2S)-2-amino-3-(1H-indol-3-yl)-N',N'-dimethylpropanehydrazide
CID 83020765
diethylboranyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate
CID 99773095

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-ethoxyphenyl)-3-(1H-indol-3-yl)propanamide?
The IUPAC name of (2S)-2-amino-N-(2-ethoxyphenyl)-3-(1H-indol-3-yl)propanamide (CID 22691563) is (2S)-2-amino-N-(2-ethoxyphenyl)-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-ethoxyphenyl)-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(2-ethoxyphenyl)-3-(1H-indol-3-yl)propanamide is CCOc1ccccc1NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12.
What is the InChIKey of (2S)-2-amino-N-(2-ethoxyphenyl)-3-(1H-indol-3-yl)propanamide?
The InChIKey is CGZFQVDMZYRFPK-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-2-24-18-10-6-5-9-17(18)22-19(23)15(20)11-13-12-21-16-8-4-3-7-14(13)16/h3-10,12,15,21H,2,11,20H2,1H3,(H,22,23)/t15-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-ethoxyphenyl)-3-(1H-indol-3-yl)propanamide?
(2S)-2-amino-N-(2-ethoxyphenyl)-3-(1H-indol-3-yl)propanamide has a molecular weight of 323.40 g/mol, XLogP of 3.08, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-ethoxyphenyl)-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 22691563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).