N-[2-(1H-indol-3-yl)ethyl]-3-phenyl-N-[(E)-3-phenylprop-2-enyl]propanamide

C28H28N2O — CID 42696141

IUPACN-[2-(1H-indol-3-yl)ethyl]-3-phenyl-N-[(E)-3-phenylprop-2-enyl]propanamide
SMILESO=C(CCc1ccccc1)N(C/C=C/c1ccccc1)CCc1c[nH]c2ccccc12
InChIInChI=1S/C28H28N2O/c31-28(18-17-24-12-5-2-6-13-24)30(20-9-14-23-10-3-1-4-11-23)21-19-25-22-29-27-16-8-7-15-26(25)27/h1-16,22,29H,17-21H2/b14-9+
InChIKeyFTIPWONIXCXLFS-NTEUORMPSA-N
MW408.55 g/mol
LogP5.89
Rot. Bonds9

About N-[2-(1H-indol-3-yl)ethyl]-3-phenyl-N-[(E)-3-phenylprop-2-enyl]propanamide

N-[2-(1H-indol-3-yl)ethyl]-3-phenyl-N-[(E)-3-phenylprop-2-enyl]propanamide (PubChem CID 42696141) has the molecular formula C28H28N2O and a molecular weight of 408.55 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-3-phenyl-N-[(E)-3-phenylprop-2-enyl]propanamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-3-phenyl-N-[(E)-3-phenylprop-2-enyl]propanamide
PubChem CID42696141
Molecular FormulaC28H28N2O
Molecular Weight408.55 g/mol
Exact Mass408.22
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-3-phenyl-N-[(E)-3-phenylprop-2-enyl]propanamide
SMILESO=C(CCc1ccccc1)N(C/C=C/c1ccccc1)CCc1c[nH]c2ccccc12
InChIInChI=1S/C28H28N2O/c31-28(18-17-24-12-5-2-6-13-24)30(20-9-14-23-10-3-1-4-11-23)21-19-25-22-29-27-16-8-7-15-26(25)27/h1-16,22,29H,17-21H2/b14-9+
InChIKeyFTIPWONIXCXLFS-NTEUORMPSA-N
XLogP5.89
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.55
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-2-phenyl-N-[(E)-3-phenylprop-2-enyl]butanamide
CID 42696142
N-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-butyl-3-phenylpropanamide
CID 4114319
N-[2-(1H-indol-3-yl)ethyl]-N-[(E)-2-methyl-3-phenylprop-2-enyl]butanamide
CID 42697546
N-benzyl-N-[2-(1H-indol-3-yl)ethyl]pentanamide
CID 42695889
3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-benzyl-N-ethylpropanamide
CID 113121765
N-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-butyl-3-phenylprop-2-enamide
CID 3468318
N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-3-phenylpropanamide
CID 3317154
N-butyl-N-[2-[2-(1H-indol-3-yl)ethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]-3-phenylpropanamide
CID 4621693
N-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 42772115
N-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-propylbenzamide
CID 4998732
N-[2-[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-3-phenylprop-2-enamide
CID 4620400
(E)-3-[4-[[acetyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 20579514

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-3-phenyl-N-[(E)-3-phenylprop-2-enyl]propanamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-3-phenyl-N-[(E)-3-phenylprop-2-enyl]propanamide (CID 42696141) is N-[2-(1H-indol-3-yl)ethyl]-3-phenyl-N-[(E)-3-phenylprop-2-enyl]propanamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-3-phenyl-N-[(E)-3-phenylprop-2-enyl]propanamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-3-phenyl-N-[(E)-3-phenylprop-2-enyl]propanamide is O=C(CCc1ccccc1)N(C/C=C/c1ccccc1)CCc1c[nH]c2ccccc12.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-3-phenyl-N-[(E)-3-phenylprop-2-enyl]propanamide?
The InChIKey is FTIPWONIXCXLFS-NTEUORMPSA-N. The full InChI is InChI=1S/C28H28N2O/c31-28(18-17-24-12-5-2-6-13-24)30(20-9-14-23-10-3-1-4-11-23)21-19-25-22-29-27-16-8-7-15-26(25)27/h1-16,22,29H,17-21H2/b14-9+.
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-3-phenyl-N-[(E)-3-phenylprop-2-enyl]propanamide?
N-[2-(1H-indol-3-yl)ethyl]-3-phenyl-N-[(E)-3-phenylprop-2-enyl]propanamide has a molecular weight of 408.55 g/mol, XLogP of 5.89, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-3-phenyl-N-[(E)-3-phenylprop-2-enyl]propanamide is sourced from PubChem (CID 42696141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).