N-[2-(5-butyl-1H-indol-3-yl)-1-phenylprop-2-enyl]-3-methylaniline

C28H30N2 — CID 139374477

IUPACN-[2-(5-butyl-1H-indol-3-yl)-1-phenylprop-2-enyl]-3-methylaniline
SMILESC=C(c1c[nH]c2ccc(CCCC)cc12)C(Nc1cccc(C)c1)c1ccccc1
InChIInChI=1S/C28H30N2/c1-4-5-11-22-15-16-27-25(18-22)26(19-29-27)21(3)28(23-12-7-6-8-13-23)30-24-14-9-10-20(2)17-24/h6-10,12-19,28-30H,3-5,11H2,1-2H3
InChIKeyGLQNUQXMDFCWGK-UHFFFAOYSA-N
MW394.56 g/mol
LogP7.69
Rot. Bonds8

About N-[2-(5-butyl-1H-indol-3-yl)-1-phenylprop-2-enyl]-3-methylaniline

N-[2-(5-butyl-1H-indol-3-yl)-1-phenylprop-2-enyl]-3-methylaniline (PubChem CID 139374477) has the molecular formula C28H30N2 and a molecular weight of 394.56 g/mol. Its IUPAC name is N-[2-(5-butyl-1H-indol-3-yl)-1-phenylprop-2-enyl]-3-methylaniline.

Molecular Properties

Compound NameN-[2-(5-butyl-1H-indol-3-yl)-1-phenylprop-2-enyl]-3-methylaniline
PubChem CID139374477
Molecular FormulaC28H30N2
Molecular Weight394.56 g/mol
Exact Mass394.24
IUPAC NameN-[2-(5-butyl-1H-indol-3-yl)-1-phenylprop-2-enyl]-3-methylaniline
SMILESC=C(c1c[nH]c2ccc(CCCC)cc12)C(Nc1cccc(C)c1)c1ccccc1
InChIInChI=1S/C28H30N2/c1-4-5-11-22-15-16-27-25(18-22)26(19-29-27)21(3)28(23-12-7-6-8-13-23)30-24-14-9-10-20(2)17-24/h6-10,12-19,28-30H,3-5,11H2,1-2H3
InChIKeyGLQNUQXMDFCWGK-UHFFFAOYSA-N
XLogP7.69
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.56
LogP ≤ 57.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-[3-(hydroxymethyl)anilino]-1-(1H-indol-3-yl)-2-phenylethanone
CID 41146002
N-[2-(1,5-dihydrocyclohepta[b]pyrrol-3-yl)-1-[4-[(dimethylamino)methyl]phenyl]prop-2-enyl]-3-methylaniline
CID 139374364
2-[2-[(3-methylanilino)-phenylmethyl]prop-2-enyl]-N-propylaniline
CID 139374410
N-[2-(6-methyl-1-propylindol-3-yl)-1-phenylprop-2-enyl]aniline
CID 139374400
2-(3-hydroxyanilino)-1-(1H-indol-3-yl)-2-phenylethanone
CID 86729082
2-(1H-indol-3-yl)-N-methyl-1-(4-methylphenyl)prop-2-en-1-amine
CID 139374699
6-hexyl-4-oxo-1H-quinoline-3-carboxylic acid
CID 118577946
1-(1H-indol-3-yl)-2-(3-methylsulfonylanilino)-2-phenylethanone
CID 86728635
3-bromo-6-butyl-1H-quinolin-4-one
CID 114759349
(2R)-1-(1H-indol-3-yl)-2-[[(2S)-2-(4-methylphenyl)butyl]amino]-2-phenylethanone
CID 159861314
2-(3,5-dimethoxyanilino)-2-(4-fluorophenyl)-1-[5-(2-hydroxyethyl)-1H-indol-3-yl]ethanone
CID 86729132
2-(3-methylanilino)octan-1-ol
CID 61049186

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-butyl-1H-indol-3-yl)-1-phenylprop-2-enyl]-3-methylaniline?
The IUPAC name of N-[2-(5-butyl-1H-indol-3-yl)-1-phenylprop-2-enyl]-3-methylaniline (CID 139374477) is N-[2-(5-butyl-1H-indol-3-yl)-1-phenylprop-2-enyl]-3-methylaniline.
What is the SMILES notation for N-[2-(5-butyl-1H-indol-3-yl)-1-phenylprop-2-enyl]-3-methylaniline?
The canonical SMILES for N-[2-(5-butyl-1H-indol-3-yl)-1-phenylprop-2-enyl]-3-methylaniline is C=C(c1c[nH]c2ccc(CCCC)cc12)C(Nc1cccc(C)c1)c1ccccc1.
What is the InChIKey of N-[2-(5-butyl-1H-indol-3-yl)-1-phenylprop-2-enyl]-3-methylaniline?
The InChIKey is GLQNUQXMDFCWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2/c1-4-5-11-22-15-16-27-25(18-22)26(19-29-27)21(3)28(23-12-7-6-8-13-23)30-24-14-9-10-20(2)17-24/h6-10,12-19,28-30H,3-5,11H2,1-2H3.
What are the key properties of N-[2-(5-butyl-1H-indol-3-yl)-1-phenylprop-2-enyl]-3-methylaniline?
N-[2-(5-butyl-1H-indol-3-yl)-1-phenylprop-2-enyl]-3-methylaniline has a molecular weight of 394.56 g/mol, XLogP of 7.69, 8 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-butyl-1H-indol-3-yl)-1-phenylprop-2-enyl]-3-methylaniline is sourced from PubChem (CID 139374477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).