(E)-N-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-phenylprop-2-enamide

C20H20N2O2 — CID 97414006

IUPAC(E)-N-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-phenylprop-2-enamide
SMILESCn1cc([C@@H](O)CNC(=O)/C=C/c2ccccc2)c2ccccc21
InChIInChI=1S/C20H20N2O2/c1-22-14-17(16-9-5-6-10-18(16)22)19(23)13-21-20(24)12-11-15-7-3-2-4-8-15/h2-12,14,19,23H,13H2,1H3,(H,21,24)/b12-11+/t19-/m0/s1
InChIKeyIZHKBVKSHPJJCU-CVTTXWKISA-N
MW320.39 g/mol
LogP3.04
Rot. Bonds5

About (E)-N-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-phenylprop-2-enamide

(E)-N-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-phenylprop-2-enamide (PubChem CID 97414006) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is (E)-N-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-phenylprop-2-enamide
PubChem CID97414006
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name(E)-N-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-phenylprop-2-enamide
SMILESCn1cc([C@@H](O)CNC(=O)/C=C/c2ccccc2)c2ccccc21
InChIInChI=1S/C20H20N2O2/c1-22-14-17(16-9-5-6-10-18(16)22)19(23)13-21-20(24)12-11-15-7-3-2-4-8-15/h2-12,14,19,23H,13H2,1H3,(H,21,24)/b12-11+/t19-/m0/s1
InChIKeyIZHKBVKSHPJJCU-CVTTXWKISA-N
XLogP3.04
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-thiophen-3-ylprop-2-enamide
CID 97414072
1-benzhydryl-3-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]urea
CID 90535339
2-benzylsulfanyl-N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]acetamide
CID 97414049
3-hydroxy-3-(1-methylindol-3-yl)propanoic acid
CID 130117642
(E)-N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-(furan-2-yl)prop-2-enamide
CID 71780297
2-bromo-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzamide
CID 71788673
1-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-(2-methylphenyl)urea
CID 71788722
N'-(2,6-dimethylphenyl)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide
CID 90535246
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]naphthalene-2-carboxamide
CID 90535044
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-N'-(2-methylphenyl)oxamide
CID 90535235
4-(dimethylamino)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzamide
CID 90535031
(2S)-2-hydroxy-3-[[(E)-3-phenylprop-2-enoyl]amino]propanoic acid
CID 107832797

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-phenylprop-2-enamide (CID 97414006) is (E)-N-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-phenylprop-2-enamide is Cn1cc([C@@H](O)CNC(=O)/C=C/c2ccccc2)c2ccccc21.
What is the InChIKey of (E)-N-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-phenylprop-2-enamide?
The InChIKey is IZHKBVKSHPJJCU-CVTTXWKISA-N. The full InChI is InChI=1S/C20H20N2O2/c1-22-14-17(16-9-5-6-10-18(16)22)19(23)13-21-20(24)12-11-15-7-3-2-4-8-15/h2-12,14,19,23H,13H2,1H3,(H,21,24)/b12-11+/t19-/m0/s1.
What are the key properties of (E)-N-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-phenylprop-2-enamide?
(E)-N-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-phenylprop-2-enamide has a molecular weight of 320.39 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 97414006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).