(E)-N-(4-butoxy-2,6-dimethylphenyl)-N-[3-(dimethylamino)propyl]-3-phenylprop-2-enamide

C26H36N2O2 — CID 6433767

IUPAC(E)-N-(4-butoxy-2,6-dimethylphenyl)-N-[3-(dimethylamino)propyl]-3-phenylprop-2-enamide
SMILESCCCCOc1cc(C)c(N(CCCN(C)C)C(=O)/C=C/c2ccccc2)c(C)c1
InChIInChI=1S/C26H36N2O2/c1-6-7-18-30-24-19-21(2)26(22(3)20-24)28(17-11-16-27(4)5)25(29)15-14-23-12-9-8-10-13-23/h8-10,12-15,19-20H,6-7,11,16-18H2,1-5H3/b15-14+
InChIKeyVJMKZEIQRKGFSK-CCEZHUSRSA-N
MW408.59 g/mol
LogP5.48
Rot. Bonds11

About (E)-N-(4-butoxy-2,6-dimethylphenyl)-N-[3-(dimethylamino)propyl]-3-phenylprop-2-enamide

(E)-N-(4-butoxy-2,6-dimethylphenyl)-N-[3-(dimethylamino)propyl]-3-phenylprop-2-enamide (PubChem CID 6433767) has the molecular formula C26H36N2O2 and a molecular weight of 408.59 g/mol. Its IUPAC name is (E)-N-(4-butoxy-2,6-dimethylphenyl)-N-[3-(dimethylamino)propyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-butoxy-2,6-dimethylphenyl)-N-[3-(dimethylamino)propyl]-3-phenylprop-2-enamide
PubChem CID6433767
Molecular FormulaC26H36N2O2
Molecular Weight408.59 g/mol
Exact Mass408.28
IUPAC Name(E)-N-(4-butoxy-2,6-dimethylphenyl)-N-[3-(dimethylamino)propyl]-3-phenylprop-2-enamide
SMILESCCCCOc1cc(C)c(N(CCCN(C)C)C(=O)/C=C/c2ccccc2)c(C)c1
InChIInChI=1S/C26H36N2O2/c1-6-7-18-30-24-19-21(2)26(22(3)20-24)28(17-11-16-27(4)5)25(29)15-14-23-12-9-8-10-13-23/h8-10,12-15,19-20H,6-7,11,16-18H2,1-5H3/b15-14+
InChIKeyVJMKZEIQRKGFSK-CCEZHUSRSA-N
XLogP5.48
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.59
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N-(4-butoxy-2,6-dimethylphenyl)-N-[3-(dimethylamino)propyl]-3-phenylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Cilostamide
CID 2753
1-(4-{2-[Benzyl(methyl)amino]ethoxy}phenyl)-4-(benzyloxy)pyridin-2(1H)-one
CID 53321223
3-[(2,4-dimethylanilino)methyl]-6-methoxy-1H-quinolin-2-one
CID 941920
2(1H)-Quinolinone, 1-ethyl-6-methoxy-
CID 114297
N-(2-Hydroxy-6-methoxy-quinolin-3-ylmethyl)-N-p-tolyl-propionamide
CID 1091906
N-cyclohexyl-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 663963
6-methoxy-3-[(4-methoxyanilino)methyl]-1H-quinolin-2-one
CID 664029
3-[(cyclohexylamino)methyl]-6-methoxy-1H-quinolin-2-one
CID 664711
6-Methoxy-3-phenylaminomethyl-quinolin-2-ol
CID 942126
6-methoxy-3-[(3-methylanilino)methyl]-1H-quinolin-2-one
CID 943158
1,2-Dihydro-N-methyl-4-(4-phenoxybutoxy)quinolin-2-one
CID 42631142
4-Ethyl-4-[3-(1-methyl-2-oxo-1,2-dihydroquinolin-6-ylmethoxy)phenyl]tetrahydropyran
CID 10022483

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-butoxy-2,6-dimethylphenyl)-N-[3-(dimethylamino)propyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(4-butoxy-2,6-dimethylphenyl)-N-[3-(dimethylamino)propyl]-3-phenylprop-2-enamide (CID 6433767) is (E)-N-(4-butoxy-2,6-dimethylphenyl)-N-[3-(dimethylamino)propyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(4-butoxy-2,6-dimethylphenyl)-N-[3-(dimethylamino)propyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(4-butoxy-2,6-dimethylphenyl)-N-[3-(dimethylamino)propyl]-3-phenylprop-2-enamide is CCCCOc1cc(C)c(N(CCCN(C)C)C(=O)/C=C/c2ccccc2)c(C)c1.
What is the InChIKey of (E)-N-(4-butoxy-2,6-dimethylphenyl)-N-[3-(dimethylamino)propyl]-3-phenylprop-2-enamide?
The InChIKey is VJMKZEIQRKGFSK-CCEZHUSRSA-N. The full InChI is InChI=1S/C26H36N2O2/c1-6-7-18-30-24-19-21(2)26(22(3)20-24)28(17-11-16-27(4)5)25(29)15-14-23-12-9-8-10-13-23/h8-10,12-15,19-20H,6-7,11,16-18H2,1-5H3/b15-14+.
What are the key properties of (E)-N-(4-butoxy-2,6-dimethylphenyl)-N-[3-(dimethylamino)propyl]-3-phenylprop-2-enamide?
(E)-N-(4-butoxy-2,6-dimethylphenyl)-N-[3-(dimethylamino)propyl]-3-phenylprop-2-enamide has a molecular weight of 408.59 g/mol, XLogP of 5.48, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-butoxy-2,6-dimethylphenyl)-N-[3-(dimethylamino)propyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 6433767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).