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

C24H28N2O — CID 42697546

IUPACN-[2-(1H-indol-3-yl)ethyl]-N-[(E)-2-methyl-3-phenylprop-2-enyl]butanamide
SMILESCCCC(=O)N(CCc1c[nH]c2ccccc12)C/C(C)=C/c1ccccc1
InChIInChI=1S/C24H28N2O/c1-3-9-24(27)26(18-19(2)16-20-10-5-4-6-11-20)15-14-21-17-25-23-13-8-7-12-22(21)23/h4-8,10-13,16-17,25H,3,9,14-15,18H2,1-2H3/b19-16+
InChIKeyLJQIBOLNHUUKTR-KNTRCKAVSA-N
MW360.50 g/mol
LogP5.44
Rot. Bonds8

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

N-[2-(1H-indol-3-yl)ethyl]-N-[(E)-2-methyl-3-phenylprop-2-enyl]butanamide (PubChem CID 42697546) has the molecular formula C24H28N2O and a molecular weight of 360.50 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-N-[(E)-2-methyl-3-phenylprop-2-enyl]butanamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-N-[(E)-2-methyl-3-phenylprop-2-enyl]butanamide
PubChem CID42697546
Molecular FormulaC24H28N2O
Molecular Weight360.50 g/mol
Exact Mass360.22
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-N-[(E)-2-methyl-3-phenylprop-2-enyl]butanamide
SMILESCCCC(=O)N(CCc1c[nH]c2ccccc12)C/C(C)=C/c1ccccc1
InChIInChI=1S/C24H28N2O/c1-3-9-24(27)26(18-19(2)16-20-10-5-4-6-11-20)15-14-21-17-25-23-13-8-7-12-22(21)23/h4-8,10-13,16-17,25H,3,9,14-15,18H2,1-2H3/b19-16+
InChIKeyLJQIBOLNHUUKTR-KNTRCKAVSA-N
XLogP5.44
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.50
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-N-[2-(1H-indol-3-yl)ethyl]pentanamide
CID 42695889
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]-3-phenyl-N-[(E)-3-phenylprop-2-enyl]propanamide
CID 42696141
2-[acetyl(propyl)amino]-N-benzyl-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 4245533
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-butylpropanamide
CID 5096553
N-butyl-N-[2-[[4-(dimethylamino)phenyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]butanamide
CID 42772355
N-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-butyl-3-phenylprop-2-enamide
CID 3468318
N-[2-[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-propylpentanamide
CID 3293601
methyl 5-[ethyl-[2-(1H-indol-3-yl)ethyl]amino]-5-oxopentanoate
CID 23336475
N-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-propylbenzamide
CID 4998732
4-(1H-indol-3-yl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbutanamide
CID 25161859

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-N-[(E)-2-methyl-3-phenylprop-2-enyl]butanamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-N-[(E)-2-methyl-3-phenylprop-2-enyl]butanamide (CID 42697546) is N-[2-(1H-indol-3-yl)ethyl]-N-[(E)-2-methyl-3-phenylprop-2-enyl]butanamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-N-[(E)-2-methyl-3-phenylprop-2-enyl]butanamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-N-[(E)-2-methyl-3-phenylprop-2-enyl]butanamide is CCCC(=O)N(CCc1c[nH]c2ccccc12)C/C(C)=C/c1ccccc1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-N-[(E)-2-methyl-3-phenylprop-2-enyl]butanamide?
The InChIKey is LJQIBOLNHUUKTR-KNTRCKAVSA-N. The full InChI is InChI=1S/C24H28N2O/c1-3-9-24(27)26(18-19(2)16-20-10-5-4-6-11-20)15-14-21-17-25-23-13-8-7-12-22(21)23/h4-8,10-13,16-17,25H,3,9,14-15,18H2,1-2H3/b19-16+.
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-N-[(E)-2-methyl-3-phenylprop-2-enyl]butanamide?
N-[2-(1H-indol-3-yl)ethyl]-N-[(E)-2-methyl-3-phenylprop-2-enyl]butanamide has a molecular weight of 360.50 g/mol, XLogP of 5.44, 8 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]-N-[(E)-2-methyl-3-phenylprop-2-enyl]butanamide is sourced from PubChem (CID 42697546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).