(E)-2-methyl-N-[(2-methyl-1H-indol-5-yl)methyl]-3-phenylprop-2-enamide

C20H20N2O — CID 110425618

IUPAC(E)-2-methyl-N-[(2-methyl-1H-indol-5-yl)methyl]-3-phenylprop-2-enamide
SMILESC/C(=C\c1ccccc1)C(=O)NCc1ccc2[nH]c(C)cc2c1
InChIInChI=1S/C20H20N2O/c1-14(10-16-6-4-3-5-7-16)20(23)21-13-17-8-9-19-18(12-17)11-15(2)22-19/h3-12,22H,13H2,1-2H3,(H,21,23)/b14-10+
InChIKeyUWLGMUCTXUBEHN-GXDHUFHOSA-N
MW304.39 g/mol
LogP4.20
Rot. Bonds4

About (E)-2-methyl-N-[(2-methyl-1H-indol-5-yl)methyl]-3-phenylprop-2-enamide

(E)-2-methyl-N-[(2-methyl-1H-indol-5-yl)methyl]-3-phenylprop-2-enamide (PubChem CID 110425618) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is (E)-2-methyl-N-[(2-methyl-1H-indol-5-yl)methyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-2-methyl-N-[(2-methyl-1H-indol-5-yl)methyl]-3-phenylprop-2-enamide
PubChem CID110425618
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name(E)-2-methyl-N-[(2-methyl-1H-indol-5-yl)methyl]-3-phenylprop-2-enamide
SMILESC/C(=C\c1ccccc1)C(=O)NCc1ccc2[nH]c(C)cc2c1
InChIInChI=1S/C20H20N2O/c1-14(10-16-6-4-3-5-7-16)20(23)21-13-17-8-9-19-18(12-17)11-15(2)22-19/h3-12,22H,13H2,1-2H3,(H,21,23)/b14-10+
InChIKeyUWLGMUCTXUBEHN-GXDHUFHOSA-N
XLogP4.20
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2-methyl-1H-indol-5-yl)methylcarbamic acid
CID 118078535
(E)-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-phenylprop-2-enamide
CID 110298595
2-methoxy-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide
CID 4549485
(2R)-2-chloro-N-[(2-methyl-1H-indol-5-yl)methyl]propanamide
CID 7158869
N-benzyl-2-methyl-1H-indole-5-carboxamide
CID 110695037
1-tert-butyl-3-[(2-methyl-1H-indol-5-yl)methyl]urea
CID 110668194
4-fluoro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide
CID 5096418
3-chloro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide
CID 5096420
(E)-N-[(2-methyl-1H-indol-5-yl)methyl]-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide
CID 110613526
4-(1,3-dioxoisoindol-2-yl)-N-[(2-methyl-1H-indol-5-yl)methyl]butanamide
CID 110427774
3-bromo-2-chloro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide
CID 167798638
N-[(2-methyl-1H-indol-5-yl)methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 91777982

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-N-[(2-methyl-1H-indol-5-yl)methyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-2-methyl-N-[(2-methyl-1H-indol-5-yl)methyl]-3-phenylprop-2-enamide (CID 110425618) is (E)-2-methyl-N-[(2-methyl-1H-indol-5-yl)methyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-2-methyl-N-[(2-methyl-1H-indol-5-yl)methyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-2-methyl-N-[(2-methyl-1H-indol-5-yl)methyl]-3-phenylprop-2-enamide is C/C(=C\c1ccccc1)C(=O)NCc1ccc2[nH]c(C)cc2c1.
What is the InChIKey of (E)-2-methyl-N-[(2-methyl-1H-indol-5-yl)methyl]-3-phenylprop-2-enamide?
The InChIKey is UWLGMUCTXUBEHN-GXDHUFHOSA-N. The full InChI is InChI=1S/C20H20N2O/c1-14(10-16-6-4-3-5-7-16)20(23)21-13-17-8-9-19-18(12-17)11-15(2)22-19/h3-12,22H,13H2,1-2H3,(H,21,23)/b14-10+.
What are the key properties of (E)-2-methyl-N-[(2-methyl-1H-indol-5-yl)methyl]-3-phenylprop-2-enamide?
(E)-2-methyl-N-[(2-methyl-1H-indol-5-yl)methyl]-3-phenylprop-2-enamide has a molecular weight of 304.39 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-N-[(2-methyl-1H-indol-5-yl)methyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 110425618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).