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

C20H23N3O2 — CID 119956362

IUPAC(2S)-2-amino-3-(1H-indol-3-yl)-N-[1-(4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(C(C)NC(=O)[C@@H](N)Cc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C20H23N3O2/c1-13(14-7-9-16(25-2)10-8-14)23-20(24)18(21)11-15-12-22-19-6-4-3-5-17(15)19/h3-10,12-13,18,22H,11,21H2,1-2H3,(H,23,24)/t13?,18-/m0/s1
InChIKeyDDHXEOMFSQKSAS-UWBLVGDVSA-N
MW337.42 g/mol
LogP2.92
Rot. Bonds6

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

(2S)-2-amino-3-(1H-indol-3-yl)-N-[1-(4-methoxyphenyl)ethyl]propanamide (PubChem CID 119956362) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is (2S)-2-amino-3-(1H-indol-3-yl)-N-[1-(4-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-(1H-indol-3-yl)-N-[1-(4-methoxyphenyl)ethyl]propanamide
PubChem CID119956362
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name(2S)-2-amino-3-(1H-indol-3-yl)-N-[1-(4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(C(C)NC(=O)[C@@H](N)Cc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C20H23N3O2/c1-13(14-7-9-16(25-2)10-8-14)23-20(24)18(21)11-15-12-22-19-6-4-3-5-17(15)19/h3-10,12-13,18,22H,11,21H2,1-2H3,(H,23,24)/t13?,18-/m0/s1
InChIKeyDDHXEOMFSQKSAS-UWBLVGDVSA-N
XLogP2.92
TPSA80.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-(1H-indol-3-yl)-N-[1-(4-methylphenyl)ethyl]propanamide
CID 119956347
(2S)-2-amino-3-(1H-indol-3-yl)-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 119955955
(2S)-2-amino-3-(1H-indol-3-yl)-N-(3-methylbutan-2-yl)propanamide
CID 61148502
(2S)-2-amino-3-(1H-indol-3-yl)-N-[1-(1-methylpyrazol-4-yl)ethyl]propanamide
CID 119957335
(2S)-2-amino-N-(3,3-dimethylbutan-2-yl)-3-(1H-indol-3-yl)propanamide
CID 103827503
2-amino-N-(4-hydroxybutan-2-yl)-3-(1H-indol-3-yl)propanamide
CID 114350867
2-amino-3-(1H-indol-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide
CID 70147213
(2S)-2-amino-3-(1H-indol-3-yl)-N-(3-methoxyphenyl)propanamide
CID 22691562
tert-butyl (2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]propanoate
CID 54512148
(2S)-2-amino-3-(1H-indol-3-yl)-N-(2-methoxypropyl)propanamide
CID 102694962
(2R)-2-amino-N-[1-(dimethylamino)propan-2-yl]-3-(1H-indol-3-yl)propanamide
CID 104910967
(2R)-2-amino-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide
CID 83324335

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(1H-indol-3-yl)-N-[1-(4-methoxyphenyl)ethyl]propanamide?
The IUPAC name of (2S)-2-amino-3-(1H-indol-3-yl)-N-[1-(4-methoxyphenyl)ethyl]propanamide (CID 119956362) is (2S)-2-amino-3-(1H-indol-3-yl)-N-[1-(4-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for (2S)-2-amino-3-(1H-indol-3-yl)-N-[1-(4-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for (2S)-2-amino-3-(1H-indol-3-yl)-N-[1-(4-methoxyphenyl)ethyl]propanamide is COc1ccc(C(C)NC(=O)[C@@H](N)Cc2c[nH]c3ccccc23)cc1.
What is the InChIKey of (2S)-2-amino-3-(1H-indol-3-yl)-N-[1-(4-methoxyphenyl)ethyl]propanamide?
The InChIKey is DDHXEOMFSQKSAS-UWBLVGDVSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-13(14-7-9-16(25-2)10-8-14)23-20(24)18(21)11-15-12-22-19-6-4-3-5-17(15)19/h3-10,12-13,18,22H,11,21H2,1-2H3,(H,23,24)/t13?,18-/m0/s1.
What are the key properties of (2S)-2-amino-3-(1H-indol-3-yl)-N-[1-(4-methoxyphenyl)ethyl]propanamide?
(2S)-2-amino-3-(1H-indol-3-yl)-N-[1-(4-methoxyphenyl)ethyl]propanamide has a molecular weight of 337.42 g/mol, XLogP of 2.92, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(1H-indol-3-yl)-N-[1-(4-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 119956362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).