(E)-N-[4-[2-(dimethylamino)butylamino]phenyl]-3-naphthalen-1-ylprop-2-enamide

C25H29N3O — CID 142931080

IUPAC(E)-N-[4-[2-(dimethylamino)butylamino]phenyl]-3-naphthalen-1-ylprop-2-enamide
SMILESCCC(CNc1ccc(NC(=O)/C=C/c2cccc3ccccc23)cc1)N(C)C
InChIInChI=1S/C25H29N3O/c1-4-23(28(2)3)18-26-21-13-15-22(16-14-21)27-25(29)17-12-20-10-7-9-19-8-5-6-11-24(19)20/h5-17,23,26H,4,18H2,1-3H3,(H,27,29)/b17-12+
InChIKeyAXLWKLTZAKUSGK-SFQUDFHCSA-N
MW387.53 g/mol
LogP5.24
Rot. Bonds8

About (E)-N-[4-[2-(dimethylamino)butylamino]phenyl]-3-naphthalen-1-ylprop-2-enamide

(E)-N-[4-[2-(dimethylamino)butylamino]phenyl]-3-naphthalen-1-ylprop-2-enamide (PubChem CID 142931080) has the molecular formula C25H29N3O and a molecular weight of 387.53 g/mol. Its IUPAC name is (E)-N-[4-[2-(dimethylamino)butylamino]phenyl]-3-naphthalen-1-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-[2-(dimethylamino)butylamino]phenyl]-3-naphthalen-1-ylprop-2-enamide
PubChem CID142931080
Molecular FormulaC25H29N3O
Molecular Weight387.53 g/mol
Exact Mass387.23
IUPAC Name(E)-N-[4-[2-(dimethylamino)butylamino]phenyl]-3-naphthalen-1-ylprop-2-enamide
SMILESCCC(CNc1ccc(NC(=O)/C=C/c2cccc3ccccc23)cc1)N(C)C
InChIInChI=1S/C25H29N3O/c1-4-23(28(2)3)18-26-21-13-15-22(16-14-21)27-25(29)17-12-20-10-7-9-19-8-5-6-11-24(19)20/h5-17,23,26H,4,18H2,1-3H3,(H,27,29)/b17-12+
InChIKeyAXLWKLTZAKUSGK-SFQUDFHCSA-N
XLogP5.24
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.53
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(4-hydroxyphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 102534918
N-(4-methoxyphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 680988
3-naphthalen-1-yl-N-(4-phenyldiazenylphenyl)prop-2-enamide
CID 5177921
3-naphthalen-1-yl-N-[2-(3-naphthalen-1-ylprop-2-enoylamino)phenyl]prop-2-enamide
CID 4233655
(Z)-N-(3-chloro-4-methylphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 92949912
(E)-N-(3-chloro-4-methylphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 6239949
(E)-N-[3-(dimethylsulfamoyl)phenyl]-3-naphthalen-1-ylprop-2-enamide
CID 55485816
(E)-N-[3-(methylcarbamoylamino)phenyl]-3-naphthalen-1-ylprop-2-enamide
CID 36824939
3-naphthalen-1-yl-N-[4-(phenylsulfamoyl)phenyl]prop-2-enamide
CID 5157349
methyl 4-[[(E)-3-naphthalen-1-ylprop-2-enoyl]carbamothioylamino]benzoate
CID 6122361
3-naphthalen-1-yl-N-[4-(prop-2-enylsulfamoyl)phenyl]prop-2-enamide
CID 4929850
(E)-N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-3-naphthalen-1-ylprop-2-enamide
CID 6128957

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-[2-(dimethylamino)butylamino]phenyl]-3-naphthalen-1-ylprop-2-enamide?
The IUPAC name of (E)-N-[4-[2-(dimethylamino)butylamino]phenyl]-3-naphthalen-1-ylprop-2-enamide (CID 142931080) is (E)-N-[4-[2-(dimethylamino)butylamino]phenyl]-3-naphthalen-1-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[4-[2-(dimethylamino)butylamino]phenyl]-3-naphthalen-1-ylprop-2-enamide?
The canonical SMILES for (E)-N-[4-[2-(dimethylamino)butylamino]phenyl]-3-naphthalen-1-ylprop-2-enamide is CCC(CNc1ccc(NC(=O)/C=C/c2cccc3ccccc23)cc1)N(C)C.
What is the InChIKey of (E)-N-[4-[2-(dimethylamino)butylamino]phenyl]-3-naphthalen-1-ylprop-2-enamide?
The InChIKey is AXLWKLTZAKUSGK-SFQUDFHCSA-N. The full InChI is InChI=1S/C25H29N3O/c1-4-23(28(2)3)18-26-21-13-15-22(16-14-21)27-25(29)17-12-20-10-7-9-19-8-5-6-11-24(19)20/h5-17,23,26H,4,18H2,1-3H3,(H,27,29)/b17-12+.
What are the key properties of (E)-N-[4-[2-(dimethylamino)butylamino]phenyl]-3-naphthalen-1-ylprop-2-enamide?
(E)-N-[4-[2-(dimethylamino)butylamino]phenyl]-3-naphthalen-1-ylprop-2-enamide has a molecular weight of 387.53 g/mol, XLogP of 5.24, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-[2-(dimethylamino)butylamino]phenyl]-3-naphthalen-1-ylprop-2-enamide is sourced from PubChem (CID 142931080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).