(E)-N-[[4-(diethylamino)phenyl]methyl]-4-methyl-N-[4-(methylamino)phenyl]pent-2-enamide

C24H33N3O — CID 70295609

IUPAC(E)-N-[[4-(diethylamino)phenyl]methyl]-4-methyl-N-[4-(methylamino)phenyl]pent-2-enamide
SMILESCCN(CC)c1ccc(CN(C(=O)/C=C/C(C)C)c2ccc(NC)cc2)cc1
InChIInChI=1S/C24H33N3O/c1-6-26(7-2)22-13-9-20(10-14-22)18-27(24(28)17-8-19(3)4)23-15-11-21(25-5)12-16-23/h8-17,19,25H,6-7,18H2,1-5H3/b17-8+
InChIKeyKSBVYSRTJDDXLB-CAOOACKPSA-N
MW379.55 g/mol
LogP5.32
Rot. Bonds9

About (E)-N-[[4-(diethylamino)phenyl]methyl]-4-methyl-N-[4-(methylamino)phenyl]pent-2-enamide

(E)-N-[[4-(diethylamino)phenyl]methyl]-4-methyl-N-[4-(methylamino)phenyl]pent-2-enamide (PubChem CID 70295609) has the molecular formula C24H33N3O and a molecular weight of 379.55 g/mol. Its IUPAC name is (E)-N-[[4-(diethylamino)phenyl]methyl]-4-methyl-N-[4-(methylamino)phenyl]pent-2-enamide.

Molecular Properties

Compound Name(E)-N-[[4-(diethylamino)phenyl]methyl]-4-methyl-N-[4-(methylamino)phenyl]pent-2-enamide
PubChem CID70295609
Molecular FormulaC24H33N3O
Molecular Weight379.55 g/mol
Exact Mass379.26
IUPAC Name(E)-N-[[4-(diethylamino)phenyl]methyl]-4-methyl-N-[4-(methylamino)phenyl]pent-2-enamide
SMILESCCN(CC)c1ccc(CN(C(=O)/C=C/C(C)C)c2ccc(NC)cc2)cc1
InChIInChI=1S/C24H33N3O/c1-6-26(7-2)22-13-9-20(10-14-22)18-27(24(28)17-8-19(3)4)23-15-11-21(25-5)12-16-23/h8-17,19,25H,6-7,18H2,1-5H3/b17-8+
InChIKeyKSBVYSRTJDDXLB-CAOOACKPSA-N
XLogP5.32
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.55
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-N-[[4-(diethylamino)phenyl]methyl]-4-methyl-N-[4-(methylamino)phenyl]pent-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

N-[[4-(diethylamino)phenyl]methyl]-N-[4-(dimethylamino)phenyl]-4-methylpent-2-enamide
CID 74380488
N-[[4-(diethylamino)phenyl]methyl]-N-[4-(dimethylamino)phenyl]-4-methyl-2-(methylamino)pentanamide
CID 25061548
N-[4-(diethylamino)phenyl]-2-propan-2-ylsulfonylpropanamide
CID 60553986
3-[4-(diethylamino)anilino]-2-methylpropanoic acid
CID 63179842
N-[4-(diethylamino)phenyl]-N'-ethyl-N'-phenylpropanediamide
CID 108954138
[4-(diethylamino)phenyl]urea;hydrochloride
CID 140506859
N-[4-(diethylamino)phenyl]-2-(4-ethylphenoxy)propanamide
CID 4953277
3-[N-acetyl-4-(diethylamino)anilino]-N-(4-ethylphenyl)propanamide
CID 113131894
N-[4-(diethylamino)phenyl]-2-(4-fluorophenyl)acetamide
CID 849192
1-[4-[benzyl(ethyl)amino]phenyl]-3-phenylurea
CID 112982864
(2S)-1-[4-(diethylamino)phenyl]propan-2-ol
CID 94776344
2-[benzyl(methyl)amino]-N-[4-(diethylamino)phenyl]acetamide
CID 27133835

Frequently Asked Questions

What is the IUPAC name of (E)-N-[[4-(diethylamino)phenyl]methyl]-4-methyl-N-[4-(methylamino)phenyl]pent-2-enamide?
The IUPAC name of (E)-N-[[4-(diethylamino)phenyl]methyl]-4-methyl-N-[4-(methylamino)phenyl]pent-2-enamide (CID 70295609) is (E)-N-[[4-(diethylamino)phenyl]methyl]-4-methyl-N-[4-(methylamino)phenyl]pent-2-enamide.
What is the SMILES notation for (E)-N-[[4-(diethylamino)phenyl]methyl]-4-methyl-N-[4-(methylamino)phenyl]pent-2-enamide?
The canonical SMILES for (E)-N-[[4-(diethylamino)phenyl]methyl]-4-methyl-N-[4-(methylamino)phenyl]pent-2-enamide is CCN(CC)c1ccc(CN(C(=O)/C=C/C(C)C)c2ccc(NC)cc2)cc1.
What is the InChIKey of (E)-N-[[4-(diethylamino)phenyl]methyl]-4-methyl-N-[4-(methylamino)phenyl]pent-2-enamide?
The InChIKey is KSBVYSRTJDDXLB-CAOOACKPSA-N. The full InChI is InChI=1S/C24H33N3O/c1-6-26(7-2)22-13-9-20(10-14-22)18-27(24(28)17-8-19(3)4)23-15-11-21(25-5)12-16-23/h8-17,19,25H,6-7,18H2,1-5H3/b17-8+.
What are the key properties of (E)-N-[[4-(diethylamino)phenyl]methyl]-4-methyl-N-[4-(methylamino)phenyl]pent-2-enamide?
(E)-N-[[4-(diethylamino)phenyl]methyl]-4-methyl-N-[4-(methylamino)phenyl]pent-2-enamide has a molecular weight of 379.55 g/mol, XLogP of 5.32, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[4-(diethylamino)phenyl]methyl]-4-methyl-N-[4-(methylamino)phenyl]pent-2-enamide is sourced from PubChem (CID 70295609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).