N-[[4-(diethylamino)phenyl]methyl]-N-[4-(dimethylamino)phenyl]-4-methylpent-2-enamide

C25H35N3O — CID 74380488

IUPACN-[[4-(diethylamino)phenyl]methyl]-N-[4-(dimethylamino)phenyl]-4-methylpent-2-enamide
SMILESCCN(CC)c1ccc(CN(C(=O)C=CC(C)C)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C25H35N3O/c1-7-27(8-2)23-12-10-21(11-13-23)19-28(25(29)18-9-20(3)4)24-16-14-22(15-17-24)26(5)6/h9-18,20H,7-8,19H2,1-6H3
InChIKeyBCUAMVGXMSJYED-UHFFFAOYSA-N
MW393.58 g/mol
LogP5.34
Rot. Bonds9

About N-[[4-(diethylamino)phenyl]methyl]-N-[4-(dimethylamino)phenyl]-4-methylpent-2-enamide

N-[[4-(diethylamino)phenyl]methyl]-N-[4-(dimethylamino)phenyl]-4-methylpent-2-enamide (PubChem CID 74380488) has the molecular formula C25H35N3O and a molecular weight of 393.58 g/mol. Its IUPAC name is N-[[4-(diethylamino)phenyl]methyl]-N-[4-(dimethylamino)phenyl]-4-methylpent-2-enamide.

Molecular Properties

Compound NameN-[[4-(diethylamino)phenyl]methyl]-N-[4-(dimethylamino)phenyl]-4-methylpent-2-enamide
PubChem CID74380488
Molecular FormulaC25H35N3O
Molecular Weight393.58 g/mol
Exact Mass393.28
IUPAC NameN-[[4-(diethylamino)phenyl]methyl]-N-[4-(dimethylamino)phenyl]-4-methylpent-2-enamide
SMILESCCN(CC)c1ccc(CN(C(=O)C=CC(C)C)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C25H35N3O/c1-7-27(8-2)23-12-10-21(11-13-23)19-28(25(29)18-9-20(3)4)24-16-14-22(15-17-24)26(5)6/h9-18,20H,7-8,19H2,1-6H3
InChIKeyBCUAMVGXMSJYED-UHFFFAOYSA-N
XLogP5.34
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.58
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[[4-(diethylamino)phenyl]methyl]-4-methyl-N-[4-(methylamino)phenyl]pent-2-enamide
CID 70295609
N-[[4-(diethylamino)phenyl]methyl]-N-[4-(dimethylamino)phenyl]-4-methyl-2-(methylamino)pentanamide
CID 25061548
N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylpropanamide
CID 60682717
(2R)-2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpropanamide
CID 54995849
1-(4-tert-butylphenyl)-1-[[4-(dimethylamino)phenyl]methyl]-3-[(2E,4Z,6E)-8-methyl-3-propan-2-ylnona-2,4,6-trien-2-yl]urea
CID 142115288
1-[4-(diethylamino)phenyl]-3-[4-(dimethylamino)phenyl]urea
CID 23366297
N-[[4-(dimethylamino)phenyl]methyl]-2-(N-ethyl-4-fluoroanilino)-N-methylacetamide
CID 78826763
3-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylpropanamide
CID 62669455
4-[2-[4-(diethylamino)phenyl]ethenyl]-N,N-dimethylaniline
CID 71427638
N-[[4-(dimethylamino)phenyl]methyl]-2-ethyl-N-methylbutanamide
CID 78801142
bis[4-(diethylamino)phenyl]methanone;bis[4-(dimethylamino)phenyl]methanone;diphenylmethanone
CID 161451495
3-chloro-N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpropanamide
CID 54875070

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylamino)phenyl]methyl]-N-[4-(dimethylamino)phenyl]-4-methylpent-2-enamide?
The IUPAC name of N-[[4-(diethylamino)phenyl]methyl]-N-[4-(dimethylamino)phenyl]-4-methylpent-2-enamide (CID 74380488) is N-[[4-(diethylamino)phenyl]methyl]-N-[4-(dimethylamino)phenyl]-4-methylpent-2-enamide.
What is the SMILES notation for N-[[4-(diethylamino)phenyl]methyl]-N-[4-(dimethylamino)phenyl]-4-methylpent-2-enamide?
The canonical SMILES for N-[[4-(diethylamino)phenyl]methyl]-N-[4-(dimethylamino)phenyl]-4-methylpent-2-enamide is CCN(CC)c1ccc(CN(C(=O)C=CC(C)C)c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of N-[[4-(diethylamino)phenyl]methyl]-N-[4-(dimethylamino)phenyl]-4-methylpent-2-enamide?
The InChIKey is BCUAMVGXMSJYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O/c1-7-27(8-2)23-12-10-21(11-13-23)19-28(25(29)18-9-20(3)4)24-16-14-22(15-17-24)26(5)6/h9-18,20H,7-8,19H2,1-6H3.
What are the key properties of N-[[4-(diethylamino)phenyl]methyl]-N-[4-(dimethylamino)phenyl]-4-methylpent-2-enamide?
N-[[4-(diethylamino)phenyl]methyl]-N-[4-(dimethylamino)phenyl]-4-methylpent-2-enamide has a molecular weight of 393.58 g/mol, XLogP of 5.34, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylamino)phenyl]methyl]-N-[4-(dimethylamino)phenyl]-4-methylpent-2-enamide is sourced from PubChem (CID 74380488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).