(E)-3-[4-[4-(cyclopentylamino)phenyl]-2,5-dimethylphenyl]-2-methyl-N-propan-2-ylprop-2-enamide

C26H34N2O — CID 59031138

IUPAC(E)-3-[4-[4-(cyclopentylamino)phenyl]-2,5-dimethylphenyl]-2-methyl-N-propan-2-ylprop-2-enamide
SMILESC/C(=C\c1cc(C)c(-c2ccc(NC3CCCC3)cc2)cc1C)C(=O)NC(C)C
InChIInChI=1S/C26H34N2O/c1-17(2)27-26(29)20(5)15-22-14-19(4)25(16-18(22)3)21-10-12-24(13-11-21)28-23-8-6-7-9-23/h10-17,23,28H,6-9H2,1-5H3,(H,27,29)/b20-15+
InChIKeyMCIAKPBPBFIMSF-HMMYKYKNSA-N
MW390.57 g/mol
LogP6.25
Rot. Bonds6

About (E)-3-[4-[4-(cyclopentylamino)phenyl]-2,5-dimethylphenyl]-2-methyl-N-propan-2-ylprop-2-enamide

(E)-3-[4-[4-(cyclopentylamino)phenyl]-2,5-dimethylphenyl]-2-methyl-N-propan-2-ylprop-2-enamide (PubChem CID 59031138) has the molecular formula C26H34N2O and a molecular weight of 390.57 g/mol. Its IUPAC name is (E)-3-[4-[4-(cyclopentylamino)phenyl]-2,5-dimethylphenyl]-2-methyl-N-propan-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-[4-(cyclopentylamino)phenyl]-2,5-dimethylphenyl]-2-methyl-N-propan-2-ylprop-2-enamide
PubChem CID59031138
Molecular FormulaC26H34N2O
Molecular Weight390.57 g/mol
Exact Mass390.27
IUPAC Name(E)-3-[4-[4-(cyclopentylamino)phenyl]-2,5-dimethylphenyl]-2-methyl-N-propan-2-ylprop-2-enamide
SMILESC/C(=C\c1cc(C)c(-c2ccc(NC3CCCC3)cc2)cc1C)C(=O)NC(C)C
InChIInChI=1S/C26H34N2O/c1-17(2)27-26(29)20(5)15-22-14-19(4)25(16-18(22)3)21-10-12-24(13-11-21)28-23-8-6-7-9-23/h10-17,23,28H,6-9H2,1-5H3,(H,27,29)/b20-15+
InChIKeyMCIAKPBPBFIMSF-HMMYKYKNSA-N
XLogP6.25
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.57
LogP ≤ 56.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Iem 611
CID 39794
N-[[1-[[(5R)-5-amino-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidin-4-yl]methyl]-N-phenylpropanamide
CID 122189396
N-(2,4-dimethylphenyl)-2-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide
CID 942741
N-(6-Methyl-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)-N-(2-m-tolyl-ethyl)-acetamide
CID 1453546
7-Methyl-3-[(2-o-tolyl-ethylamino)-methyl]-1H-quinolin-2-one
CID 3176400
7-Methyl-3-[(2-m-tolyl-ethylamino)-methyl]-1H-quinolin-2-one
CID 3176403
6,8-Dimethyl-3-[(2-m-tolyl-ethylamino)-methyl]-1H-quinolin-2-one
CID 3176405
N-(2-phenylethyl)-N'-[4-(propan-2-yl)phenyl]pentanediamide
CID 3254185
N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-phenylbutanamide
CID 4107211
N-(2-(6,7-dimethyl-2-oxo-1,2-dihydroquinolin-3-yl)ethyl)acetamide
CID 3240947
1-(N-(2-(4-methylphenyl)-6,7-dihydro-5H-benzocycloheptene-8-carbonyl)-4-aminobenzyl)-1-methylpiperidinium iodide
CID 9808628
1-Methyl-1-[4-[7-(4-methylphenyl)-3,4-dihydronaphthalene-2-carboxamido]benzyl]piperidinium iodide
CID 9894474

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[4-(cyclopentylamino)phenyl]-2,5-dimethylphenyl]-2-methyl-N-propan-2-ylprop-2-enamide?
The IUPAC name of (E)-3-[4-[4-(cyclopentylamino)phenyl]-2,5-dimethylphenyl]-2-methyl-N-propan-2-ylprop-2-enamide (CID 59031138) is (E)-3-[4-[4-(cyclopentylamino)phenyl]-2,5-dimethylphenyl]-2-methyl-N-propan-2-ylprop-2-enamide.
What is the SMILES notation for (E)-3-[4-[4-(cyclopentylamino)phenyl]-2,5-dimethylphenyl]-2-methyl-N-propan-2-ylprop-2-enamide?
The canonical SMILES for (E)-3-[4-[4-(cyclopentylamino)phenyl]-2,5-dimethylphenyl]-2-methyl-N-propan-2-ylprop-2-enamide is C/C(=C\c1cc(C)c(-c2ccc(NC3CCCC3)cc2)cc1C)C(=O)NC(C)C.
What is the InChIKey of (E)-3-[4-[4-(cyclopentylamino)phenyl]-2,5-dimethylphenyl]-2-methyl-N-propan-2-ylprop-2-enamide?
The InChIKey is MCIAKPBPBFIMSF-HMMYKYKNSA-N. The full InChI is InChI=1S/C26H34N2O/c1-17(2)27-26(29)20(5)15-22-14-19(4)25(16-18(22)3)21-10-12-24(13-11-21)28-23-8-6-7-9-23/h10-17,23,28H,6-9H2,1-5H3,(H,27,29)/b20-15+.
What are the key properties of (E)-3-[4-[4-(cyclopentylamino)phenyl]-2,5-dimethylphenyl]-2-methyl-N-propan-2-ylprop-2-enamide?
(E)-3-[4-[4-(cyclopentylamino)phenyl]-2,5-dimethylphenyl]-2-methyl-N-propan-2-ylprop-2-enamide has a molecular weight of 390.57 g/mol, XLogP of 6.25, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[4-(cyclopentylamino)phenyl]-2,5-dimethylphenyl]-2-methyl-N-propan-2-ylprop-2-enamide is sourced from PubChem (CID 59031138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).