(2R)-2-cyano-N-(4-hydroxyphenyl)-3-(5-methoxy-1H-indol-3-yl)propanamide

C19H17N3O3 — CID 52897929

IUPAC(2R)-2-cyano-N-(4-hydroxyphenyl)-3-(5-methoxy-1H-indol-3-yl)propanamide
SMILESCOc1ccc2[nH]cc(C[C@H](C#N)C(=O)Nc3ccc(O)cc3)c2c1
InChIInChI=1S/C19H17N3O3/c1-25-16-6-7-18-17(9-16)13(11-21-18)8-12(10-20)19(24)22-14-2-4-15(23)5-3-14/h2-7,9,11-12,21,23H,8H2,1H3,(H,22,24)/t12-/m1/s1
InChIKeyBDDIEKFZLRMQLB-GFCCVEGCSA-N
MW335.36 g/mol
LogP3.20
Rot. Bonds5

About (2R)-2-cyano-N-(4-hydroxyphenyl)-3-(5-methoxy-1H-indol-3-yl)propanamide

(2R)-2-cyano-N-(4-hydroxyphenyl)-3-(5-methoxy-1H-indol-3-yl)propanamide (PubChem CID 52897929) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is (2R)-2-cyano-N-(4-hydroxyphenyl)-3-(5-methoxy-1H-indol-3-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-cyano-N-(4-hydroxyphenyl)-3-(5-methoxy-1H-indol-3-yl)propanamide
PubChem CID52897929
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name(2R)-2-cyano-N-(4-hydroxyphenyl)-3-(5-methoxy-1H-indol-3-yl)propanamide
SMILESCOc1ccc2[nH]cc(C[C@H](C#N)C(=O)Nc3ccc(O)cc3)c2c1
InChIInChI=1S/C19H17N3O3/c1-25-16-6-7-18-17(9-16)13(11-21-18)8-12(10-20)19(24)22-14-2-4-15(23)5-3-14/h2-7,9,11-12,21,23H,8H2,1H3,(H,22,24)/t12-/m1/s1
InChIKeyBDDIEKFZLRMQLB-GFCCVEGCSA-N
XLogP3.20
TPSA98.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-cyano-N-(4-hydroxyphenyl)-3-(5-methoxy-1H-indol-3-yl)propanamide
CID 52897928
(E)-2-cyano-N-(4-hydroxyphenyl)-3-(5-methoxy-1H-indol-3-yl)prop-2-enamide
CID 52901119
N-(4-bromophenyl)-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 113209668
(2S)-2-amino-3-(5-methoxy-1H-indol-3-yl)propanoic acid
CID 175665456
1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(4-propan-2-ylphenyl)urea
CID 23605243
N-[(5-methoxy-1H-indol-3-yl)methyl]acetamide
CID 71554009
4-methoxy-N-[(5-methoxy-1H-indol-3-yl)methyl]aniline
CID 20509727
methyl (2R)-2-(methoxycarbonylamino)-3-(5-methoxy-1H-indol-3-yl)propanoate
CID 59079811
3-(5-hydroxy-1H-indol-3-yl)-N,2-dimethylpropanamide
CID 166672970
2-(5-methoxy-1H-indol-3-yl)-N-propan-2-ylacetamide
CID 110847876
3-[1-(5-methoxy-1H-indol-3-yl)propan-2-yl-methylamino]propanoic acid
CID 84751647
(2S)-6-amino-N-[4-[bis[4-[[(2S)-6-amino-2-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]hexanoyl]amino]phenyl]methyl]phenyl]-2-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]hexanamide;hydrochloride
CID 87971101

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyano-N-(4-hydroxyphenyl)-3-(5-methoxy-1H-indol-3-yl)propanamide?
The IUPAC name of (2R)-2-cyano-N-(4-hydroxyphenyl)-3-(5-methoxy-1H-indol-3-yl)propanamide (CID 52897929) is (2R)-2-cyano-N-(4-hydroxyphenyl)-3-(5-methoxy-1H-indol-3-yl)propanamide.
What is the SMILES notation for (2R)-2-cyano-N-(4-hydroxyphenyl)-3-(5-methoxy-1H-indol-3-yl)propanamide?
The canonical SMILES for (2R)-2-cyano-N-(4-hydroxyphenyl)-3-(5-methoxy-1H-indol-3-yl)propanamide is COc1ccc2[nH]cc(C[C@H](C#N)C(=O)Nc3ccc(O)cc3)c2c1.
What is the InChIKey of (2R)-2-cyano-N-(4-hydroxyphenyl)-3-(5-methoxy-1H-indol-3-yl)propanamide?
The InChIKey is BDDIEKFZLRMQLB-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-25-16-6-7-18-17(9-16)13(11-21-18)8-12(10-20)19(24)22-14-2-4-15(23)5-3-14/h2-7,9,11-12,21,23H,8H2,1H3,(H,22,24)/t12-/m1/s1.
What are the key properties of (2R)-2-cyano-N-(4-hydroxyphenyl)-3-(5-methoxy-1H-indol-3-yl)propanamide?
(2R)-2-cyano-N-(4-hydroxyphenyl)-3-(5-methoxy-1H-indol-3-yl)propanamide has a molecular weight of 335.36 g/mol, XLogP of 3.20, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyano-N-(4-hydroxyphenyl)-3-(5-methoxy-1H-indol-3-yl)propanamide is sourced from PubChem (CID 52897929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).